(5,7-Dihydroxy-2-oxochromen-4-yl)methyl acetate

HCID 13167347

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Basic information

CAS: 90059-77-1
Standard SMILES: CC(=O)OCc1cc(=O)oc2cc(O)cc(O)c12
InChIKey: RGYIAALENBKCGK-UHFFFAOYSA-N
Molecular formula: C12H10O6
Average molar mass: 250.2 g/mol
Monoisotopic mass: 250.04773803

Names & identifiers

Preferred name: (5,7-Dihydroxy-2-oxochromen-4-yl)methyl acetate
IUPAC: (5,7-dihydroxy-2-oxochromen-4-yl)methyl acetate

Names & synonyms

(5,7-dihydroxy-2-oxochromen-4-yl)methyl acetate90059-77-1DTXSID60524257(5,7-dihydroxy-2-oxo-2H-chromen-4-yl)methyl acetate(5,7-Dihydroxy-2-oxo-2H-1-benzopyran-4-yl)methyl acetate

Database identifiers

CAS: 90059-77-1
PubChem CID: 13167347
DTXSID: DTXSID60524257

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 93.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 388

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