6,7-Dihydroxy-3,4-dihydro-2H-1-benzopyran-2-one

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Basic information

CAS: 15017-41-1
Standard SMILES: O=C1CCc2cc(O)c(O)cc2O1
InChIKey: QNHQEUFMIKRNTB-UHFFFAOYSA-N
Molecular formula: C9H8O4
Average molar mass: 180.16 g/mol
Monoisotopic mass: 180.04225873

Names & identifiers

Preferred name: 6,7-Dihydroxy-3,4-dihydro-2H-1-benzopyran-2-one
IUPAC: 6,7-dihydroxy-3,4-dihydrochromen-2-one

Names & synonyms

15017-41-16,7-dihydroxychroman-2-oneYD6WZU5W6D6,7-DihydroxyhydrocoumarinHydrocoumarin, 6,7-dihydroxy-UNII-YD6WZU5W6D3,4-Dihydro-6,7-dihydroxy-2H-1-benzopyran-2-one2H-1-Benzopyran-2-one, 3,4-dihydro-6,7-dihydroxy-6,7-Dihydroxy-3,4-dihydro-2H-1-benzopyran-2-oneSCHEMBL11791192DTXSID705631776,7-dihydroxy-3,4-dihydrocoumarin

Database identifiers

CAS: 15017-41-1
PubChem CID: 14701353
DTXSID: DTXSID70563177
UNII: YD6WZU5W6D
Nikkaji: J1.070.901F

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 66.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 13
Formal charge: 0
Complexity: 216

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Compound notes

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