≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 5 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488182861 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488182861 |
| Canonical Smiles | C1=CC=C(C(=C1)CC(=O)O)CC(=O)O |
| IUPAC Name | 2-[2-(carboxymethyl)phenyl]acetic acid |
| InChIKey | MMEDJBFVJUFIDD-UHFFFAOYSA-N |
| INCHI | 1S/C10H10O4/c11-9(12)5-7-3-1-2-4-8(7)6-10(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14) |
| Isomeric SMILES | C1=CC=C(C(=C1)CC(=O)O)CC(=O)O |
| WGK Germany | 3 |
| Molecular Weight | 194.19 |
| Beilstein | 2616747 |
| Reaxy-Rn | 2616747 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2616747&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzene and substituted derivatives |
| Alternative Parents | Dicarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 E2629104 | Certificate of Analysis | Jun 09, 2026 | P121608 |
| A2218497 | Certificate of Analysis | Oct 29, 2025 | P121608 |
| A2218498 | Certificate of Analysis | Oct 29, 2025 | P121608 |
| A2218527 | Certificate of Analysis | Oct 29, 2025 | P121608 |
| A2218553 | Certificate of Analysis | Oct 29, 2025 | P121608 |
| D2325267 | Certificate of Analysis | Dec 29, 2021 | P121608 |
| Melt Point(°C) | 150°C |
|---|---|
| Molecular Weight | 194.180 g/mol |
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 194.058 Da |
| Monoisotopic Mass | 194.058 Da |
| Topological Polar Surface Area | 74.600 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 200.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. He Wang, Sirui Li, Hang Zhu, Shaoyuan Yu, Tianye Yang, Hongwei Zhao. (2023) A MOF-derived porous In2O3 flower-like hierarchical architecture sensor: near room-temperature preparation and fast trimethylamine sensing performance. NEW JOURNAL OF CHEMISTRY, 47 (21): (10265-10272). [PMID:] [10.1039/D3NJ01350B] |
| 2. Wang He, Li Sirui, Zhu Hang, Yu Shaoyuan, Yang Tianye, Zhao Hongwei. (2023) Facile synthesis of bayberry-like In2O3 architectures derived from metal organic framework for rapid trimethylamine detection at low operating temperature. JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS, 34 (4): (1-12). [PMID:] [10.1007/s10854-022-09743-z] |
| 3. Pengcheng Xing, Di Wu, Jingshuai Chen, Jiming Song, Changjie Mao, Yuanhao Gao, Helin Niu. (2019) A Cd-MOF as a fluorescent probe for highly selective, sensitive and stable detection of antibiotics in water. ANALYST, 144 (8): (2656-2661). [PMID:30843538] [10.1039/C8AN02442A] |
| 4. Yun Cao, Shuo Zhou, Bei-Bei Yin, Yan Wang. (2025) A cadmium-based coordination polymer as multifunctional fluorescent sensor for simultaneous detection of heavy metal ions and antibiotics in water. INORGANICA CHIMICA ACTA, [PMID:] [10.1016/j.ica.2025.122727] |
| 5. Panpan Yang, Yifei Wu, Kunxin Wang, Sheng Lu, Yuemiao Zhang, Junxi Wan, Kun Wu, Jun Shi. (2025) Enhanced intrinsic thermal conductivity of liquid crystalline polyester through monomer structure optimization in main chains. Journal of Materials Chemistry C, [PMID:] [10.1039/D5TC00061K] |
