6-Hydroxy-3-coumaranone - ≥97% , CAS No.6272-26-0

CAS: 6272-26-0 Cat. No.: H139103 Peso molecular: 150.13 Número EC: 629-589-8

GRADE & PURITY ≥97%

Synonyms

SMR000019984 | AKOS000266977 | BP-10116 | NSC 37407 | STK802010 | 6-HYDROXY-2H-BENZOFURAN-3-ONE | W-107837 | 6-hydroxycoumaran-3-one | BBL028131 | 6-hydroxy-3(2h)-benzofuranone | Z111875098 | SDCCGMLS-0066244.P001 | 6-Hydroxy-3-coumaranone, 97% | AMY18334

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

SMR000019984 | AKOS000266977 | BP-10116 | NSC 37407 | STK802010 | 6-HYDROXY-2H-BENZOFURAN-3-ONE | W-107837 | 6-hydroxycoumaran-3-one | BBL028131 | 6-hydroxy-3(2h)-benzofuranone | Z111875098 | SDCCGMLS-0066244.P001 | 6-Hydroxy-3-coumaranone, 97% | AMY18334

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488188876
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188876
• Sonrisas canónicas: C1C(=O)C2=C(O1)C=C(C=C2)O
• IUPAC Name: 6-hydroxy-1-benzofuran-3-one
• InChIKey: GBDMODVZBPFQKI-UHFFFAOYSA-N
• INCHI: 1S/C8H6O3/c9-5-1-2-6-7(10)4-11-8(6)3-5/h1-3,9H,4H2
• Isómeros SMILES: C1C(=O)C2=C(O1)C=C(C=C2)O
• WGK Alemania: 3
• Peso molecular: 150.13
• Reaxy-Rn: 121444
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=121444&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzofurans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzofurans
• Alternative Parents: Coumarans Aryl alkyl ketones Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Coumaran - Benzofuran - Aryl alkyl ketone - Aryl ketone - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Benzenoid - Ketone - Oxacycle - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Objetivos asociados (humanos)

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)

Discover Target: USP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Slightly soluble in water
• Punto de fusión (°C): 240-242°C
• Peso molecular: 150.130 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 150.032 Da
• Monoisotopic Mass: 150.032 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 178.000
• 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

Referencias

1. Haiyan Ma, Yinji Cui, He Gao, Ling Yan, Lan Liu, Longbin Xu.  (2025)  Development of a portable gel-based sensor for real-time detection of hypochlorous acid using a fluorescent probe.  DYES AND PIGMENTS,      [PMID:] [10.1016/j.dyepig.2025.113131]

2. Dan Chen, Qingqing Ma, Xin Li, Tao Yang, Shang Wu, Yanju Wang, Deyu Hu.  (2025)  Sulfonamine-containing aurone derivatives act as inhibitors of intercellular movement of potato virus Y.  iScience,  28  (12):   [PMID:41321643] [10.1016/j.isci.2025.113914]