Cas no 22649-24-7 (4,6,7-Trihydroxycoumarin)
4,6,7-Trihydroxycoumarin structure
Product Name:4,6,7-Trihydroxycoumarin
CAS No:22649-24-7
MF:C9H6O5
MW:194.140943050385
CID:1411332
PubChem ID:86597497
Update Time:2025-04-20
4,6,7-Trihydroxycoumarin Chemical and Physical Properties
Names and Identifiers
-
- 4,6,7-Trihydroxycoumarin
- 2H-1-Benzopyran-2-one, 4,6,7-trihydroxy-
- 4,6,7-trihydroxychromen-2-one
- 4,6,7-trihydroxy-2H-chromen-2-one
- 22649-24-7
- SCHEMBL6365673
- FNYQCLTWIHHCQV-UHFFFAOYSA-N
- 4,6,7-trihydroxy-coumarin
- 4?6?7-Trihydroxycoumarin
- CHEBI:183632
-
- Inchi： 1S/C9H6O5/c10-5-3-9(13)14-8-2-7(12)6(11)1-4(5)8/h1-3,10-12H
- InChI Key： FNYQCLTWIHHCQV-UHFFFAOYSA-N
- SMILES： O1C(C=C(C2C=C(C(=CC1=2)O)O)O)=O
Computed Properties
- Exact Mass: 194.02148
- Monoisotopic Mass: 194.02152329g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 285
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.6
- Topological Polar Surface Area: 87?2
Experimental Properties
- PSA: 86.99
4,6,7-Trihydroxycoumarin Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
-
Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
22649-24-7 (4,6,7-Trihydroxycoumarin) Related Products
- 18692-77-8(4-Hydroxy-7-methylcoumarin)
- 1983-81-9(2H-1-Benzopyran-2-one,4,7-dihydroxy-)
- 55004-81-4(2H-1-Benzopyran-2-one, 7-ethoxy-4-hydroxy-)
- 55004-75-6(2H-1-Benzopyran-2-one, 4-hydroxy-7,8-dimethyl-)
- 13252-84-1(4-Hydroxy-6-methoxy-2H-chromen-2-one)
- 314041-52-6(2H-1-Benzopyran-2-one,4-hydroxy-6,7-dimethyl-, hydrate (1:1))
- 17575-26-7(4,5,7-Trihydroxy-2H-chromen-2-one)
- 17575-15-4(4-Hydroxy-7-methoxycoumarin)
- 106754-20-5(4,8-Dihydroxycoumarin)
- 54295-01-1(2H-1-Benzopyran-2-one, 4-hydroxy-7-methoxy-8-methyl-)
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