Coumarin-3-carboxylic Acid - 10mM in DMSO , CAS No.531-81-7

CAS: 531-81-7 Cat. No.: C424551 Molecular Weight: 190.15 Beilstein Registry Number: 154276 EC Number: 208-518-0
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GRADE & PURITY 10mM in DMSO
Synonyms
HMS1414C16 | IFLab1_000764 | 2-Oxochromene-3-carboxylic acid | EN300-16938 | 2H-1-BENZOPYRAN-3-CARBOXYLIC ACID, 2-OXO- | CBDivE_014214 | NSC 14797 | COUMARIN-3-CARBOXYLICACID | STK298836 | 3-carboxy coumarine | COUMARIN-3-CARBOXYLIC ACID [MI] | V85UOV8788
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
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Size
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Price
Qty
1ml
C424551-1ml
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Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 21 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
HMS1414C16 | IFLab1_000764 | 2-Oxochromene-3-carboxylic acid | EN300-16938 | 2H-1-BENZOPYRAN-3-CARBOXYLIC ACID, 2-OXO- | CBDivE_014214 | NSC 14797 | COUMARIN-3-CARBOXYLICACID | STK298836 | 3-carboxy coumarine | COUMARIN-3-CARBOXYLIC ACID [MI] | V85UOV8788
Specifications & Purity
10mM in DMSO
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers
Canonical SmilesC1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)O
IUPAC Name2-oxochromene-3-carboxylic acid
InChIKeyACMLKANOGIVEPB-UHFFFAOYSA-N
INCHI1S/C10H6O4/c11-9(12)7-5-6-3-1-2-4-8(6)14-10(7)13/h1-5H,(H,11,12)
Isomeric SMILES C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)O
WGK Germany 3
RTECS DJ2490000
Molecular Weight 190.15
Beilstein 154276
Reaxy-Rn 154276
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=154276&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassPhenylpropanoids and polyketides
ClassCoumarins and derivatives
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentCoumarins and derivatives
Alternative Parents 1-benzopyrans  Pyranones and derivatives  Benzenoids  Heteroaromatic compounds  Lactones  Oxacyclic compounds  Monocarboxylic acids and derivatives  Carboxylic acids  Organooxygen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Coumarin - Benzopyran - 1-benzopyran - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - Lactone - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
MAOB Tclin Amine oxidase [flavin-containing] B (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CA2 Tclin Carbonic anhydrase II (17698 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MAOB Tclin Monoamine oxidase B (8835 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA3 Tclin Carbonic anhydrase III (753 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA6 Tclin Carbonic anhydrase VI (993 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA1 Tclin Carbonic anhydrase I (13240 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA5B Tclin Carbonic anhydrase VB (957 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA5A Tclin Carbonic anhydrase VA (1168 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA14 Tclin Carbonic anhydrase XIV (1305 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA12 Tclin Carbonic anhydrase XII (6231 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA9 Tclin Carbonic anhydrase IX (8255 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A498 (42825 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ACHN (49357 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CAKI-1 (44928 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CCRF-CEM (65223 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
COLO 205 (50209 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
DU-145 (51482 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HL-60 (67320 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HT-29 (80576 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
K562 (73714 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KM12 (47707 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
M14 (47487 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCF7 (126967 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MOLT-4 (49676 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OVCAR-3 (48710 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OVCAR-4 (44535 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OVCAR-5 (45555 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OVCAR-8 (47708 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PC-3 (62116 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RPMI-8226 (44974 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RXF 393 (41971 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SF-295 (48000 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SK-MEL-2 (46422 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SK-MEL-28 (48833 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SK-MEL-5 (47095 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SN12C (47755 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SNB-19 (46794 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TK-10 (45540 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
U-251 (51189 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
UACC-257 (46019 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
UACC-62 (47335 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
UO-31 (46270 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
786-0 (47912 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A549 (127892 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NCI/ADR-RES (33767 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
T47D (39041 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EKVX (44102 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NCI-H322M (45589 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HCC 2998 (41480 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HCT-116 (91556 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
ampC Beta-lactamase AmpC (62480 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Ca7 Carbonic anhydrase VII (3 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Ca13 Carbonic anhydrase XIII (322 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA4 Carbonic anhydrase IV (1713 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Ptpn1 Protein-tyrosine phosphatase 1B (270 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Klebsiella pneumoniae (43867 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Staphylococcus aureus (210822 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Aspergillus flavus (8875 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Bacillus subtilis (32866 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Aspergillus fumigatus (16427 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
B16-F10 (4610 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GCN5 Histone acetyltransferase GCN5 (89 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Luciferin 4-monooxygenase (66902 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Ca15 Carbonic anhydrase 15 (173 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rorc Nuclear receptor ROR-gamma (89407 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NS1 Nonstructural protein 1 (33327 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Sensitivitylight & heat sensitive
Melt Point(°C)189-192 °C
Molecular Weight190.150 g/mol
XLogP32.200
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass190.027 Da
Monoisotopic Mass190.027 Da
Topological Polar Surface Area63.600 Ų
Heavy Atom Count14
Formal Charge0
Complexity305.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Documents & Articles
Citations of This Product
References
1. Shuchen Pei, Xiang Huang, Lin Lai, Wanlin Sun, Shuiqin Chai, Jun Chen.  (2023)  Green preparation of silanized carbon dots with ficus virens leaves as a potent antibacterial agent and an effective fluorescent sensor of iron ion.  JOURNAL OF LUMINESCENCE,      [PMID:] [10.1016/j.jlumin.2023.119837]
2. Yongchun Zhou, Da Bao, Shengnan Sun, Chen Cheng, Sen Zhang, Minlin Qing, Miao Zhao, Jing Guo.  (2022)  Chitosan grafting coumarin-3-carboxylic acid fluorescent fiber with enhanced strength prepared by in-situ wet-spinning.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:36529219] [10.1016/j.ijbiomac.2022.12.093]
3. Xiangrong Tian, Li Ruan, Shengwang Zhou, Lin Wu, Jin Cao, Xueyong Qi, Xin Zhang, Song Shen.  (2022)  Appropriate Size of Fe3O4 Nanoparticles for Cancer Therapy by Ferroptosis.  ACS Applied Bio Materials,      [PMID:35297253] [10.1021/acsabm.2c00068]
4. Huige Wang, Juan He, Lixin Song, Yunxia Zhang, Minghua Xu, Zhipeng Huang, Linbo Jin, Xin Ba, Yuanyuan Li, Liqin You, Shusheng Zhang.  (2020)  Etching of halloysite nanotubes hollow imprinted materials as adsorbent for extracting of Zearalenone from grain samples.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2020.104953]
5. Xiaopeng Hu, Caiyun Wang, Meng Zhang, Faqiong Zhao, Baizhao Zeng.  (2020)  Ionic liquid assisted molecular self-assemble and molecular imprinting on gold nanoparticles decorated boron-doped ordered mesoporous carbon for the detection of zearalenone.  TALANTA,      [PMID:32498821] [10.1016/j.talanta.2020.121032]
6. Zhipeng Huang, Juan He, Yuanyuan Li, Chaojun Wu, Liqin You, Hongliang Wei, Kai Li, Shusheng Zhang.  (2019)  Preparation of dummy molecularly imprinted polymers for extraction of Zearalenone in grain samples.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:31160093] [10.1016/j.chroma.2019.05.022]
7. Zhao Yongsheng, Dang Wanbin, Ma Qiong, Zhu Yanling.  (2019)  Facile preparation of fluorescence-labelled nanofibrillated cellulose (NFC) toward revealing spatial distribution and the interface.  CELLULOSE,  26  (7): (4345-4355).  [PMID:] [10.1007/s10570-019-02404-1]
8. Zhao Yongsheng, Dang Wanbin, Si Lianmeng, Lu Zhaoqing.  (2018)  Enhanced mechanical and dielectric properties of Aramid fiber/Mica-nanofibrillated cellulose composite paper with biomimetic multilayered structure.  CELLULOSE,  26  (3): (2035-2046).  [PMID:] [10.1007/s10570-018-2170-z]
9. Jinxia Zhang, Dan Liu, Binghui Liu, Juan Xiang.  (2025)  Combined Detection of Serum Brain-Derived Neurotrophic Factor and Interleukin-6 for Evaluating Therapeutic Efficacy in Major Depressive Disorder.  ANALYTICAL CHEMISTRY,      [PMID:39903675] [10.1021/acs.analchem.4c05967]
10. Li-Hong Su, Hai-Long Qian, Shu-Ting Xu, Cheng Yang, Zhenyu Wang, Xiu-Ping Yan.  (2025)  Designing flexible aliphatic linker based molecular imprinted covalent organic framework for rapid and selective extraction and detection of trace zearalenone.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:40037192] [10.1016/j.jhazmat.2025.137778]
11. Rujing Xu, Ying Lu, Mengxiao Liu, Yanzhao Yin, Junsheng Zhao, Lin Wu, Song Shen.  (2024)  Enhanced Oral Delivery of Insulin via Loading in Polysorbate-80 Micelles.  ACS Applied Nano Materials,      [PMID:] [10.1021/acsanm.4c04262]
12. Meng Ding, Tian Meng, Lingjie Song, Jian Sun, Lei Wang, Jinghua Yin, Shifang Luan.  (2024)  Generating Reactive Oxygen Species by a Dual-Catalytic Metal–organic Framework-based Nanozyme against Drug-resistant Bacteria Infection.  CHEMISTRY OF MATERIALS,      [PMID:] [10.1021/acs.chemmater.4c00646]
13. Linglong Yi, Shangzai Wu, Guojian Ren, Qi Zhou, Ping Li, Yuan Wang, Xudong Tian, Danfeng He, Qinhe Pan.  (2024)  Glyphosate detection based on Eu coordination polymer through competitive coordination.  FOOD CHEMISTRY,      [PMID:39388882] [10.1016/j.foodchem.2024.141554]
14. Xianjiao Tang, Liping Chen, Yuhan Wang, Pengwei Chen, Lin-Song Li, Xiaojing Yang, Mei-Xia Zhao.  (2024)  Multimodal phototherapy agents target lipid droplets for near-infrared imaging-guided type I photodynamic/photothermal therapy.  Acta Biomaterialia,      [PMID:38615810] [10.1016/j.actbio.2024.04.014]
15. Shuiqin Chai, Yuting Chi, Wanlin Sun, Xin Hou, Shuchen Pei, Kang Luo, Wenyi Lv.  (2024)  Synthesis of N-doped and P-doped silicon quantum dots and their applications for tetracycline detection in the honey samples and antibacterial properties.  FOOD CHEMISTRY,      [PMID:38615527] [10.1016/j.foodchem.2024.139324]
16. Jieling Song, Wen Liu, Zhaokun Xiong, Bo Lai, Rongfu Huang.  (2023)  Understanding the multiple functions of the electrolyte tetrapolyphosphate in Electro-Fenton system for effective removal of diclofenac.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2023.125327]
17. Ying Lu, Mengxiao Liu, Yanzhao Yin, Junsheng Zhao, Jin Cao, Xueyong Qi, Lin Wu, Song Shen.  (2025)  Self-Hijacking Ferritin Nanostructures for Targeted Delivery of Iron to Enhance Synergistic Anticancer Therapy.  ACS Applied Nano Materials,      [PMID:] [10.1021/acsanm.5c01231]
18. Man-Fang Cheng, Dong-Hua Xie, Rui Hu, Nuzahat Habibul, Guo-Ping Sheng.  (2025)  Chitosan Schiff base iron-based complex aerogel for degradation of organic pollutants by efficient activated H2O2.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.171168]
19. Wenwen Ji, Chenglong Yu, Xuanyu Lin, Hanshuang Liu, Yi Chen, Tianrong Guo, Shengyan Pu.  (2026)  Production of Surface-Bound Hydroxyl Radicals on Sediments for Adsorbed Contaminant Transformation at Oxic–Anoxic Interfaces.  ENVIRONMENTAL SCIENCE & TECHNOLOGY,      [PMID:41640226] [10.1021/acs.est.5c12564]
20. Chen Jun, Xiao Ke, Cai Shaoyu, Xu Mao, Kang Luo, Pei Shuchen.  (2026)  Eco-friendly synthesis of Tieguanyin tea-derived carbon dots for enhanced antibacterial applications.  CHEMICAL PAPERS,      [PMID:] [10.1007/s11696-026-04698-5]
21. Kaiyue Cai, Rongfu Huang, Dazhen Li, Baicang Liu, Igor Ying Zhang.  (2026)  Electro-induced formation of FeWO4 interfacial layer enables heterogeneous radical activation in a green tungstate-driven electro-Fenton system.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2026.174731]
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