4H-1-Benzopyran-2-carboxylic acid, 4a,8a-dihydro-7-hydroxy-4-oxo-, acetate (ester), (E)-

(4aS,8aS)-7-acetyloxy-4-oxo-4a,8a-dihydrochromene-2-carboxylic acid

CAS: 60722-22-7

Molecular Formula	`C12H10O6`
Molecular Weight	250.2 g/mol
LogP	0.4
Topological Polar Surface Area	89.9 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	3
Exact Mass	250.04774
Heavy Atoms	18
Complexity	511.0

Chemical Identifiers

CAS Number	60722-22-7
SMILES	`CC(=O)OC1=CC2C(C=C1)C(=O)C=C(O2)C(=O)O`
InChIKey	`TYVWJXPAUKXIDJ-SCZZXKLOSA-N`

📖 Product Overview

4H-1-Benzopyran-2-carboxylic acid, 4a,8a-dihydro-7-hydroxy-4-oxo-, acetate (ester), (E)- (CAS: 60722-22-7) is a chemical compound with molecular formula C12H10O6 and molecular weight 250.2 g/mol. Its IUPAC systematic name is (4aS,8aS)-7-acetyloxy-4-oxo-4a,8a-dihydrochromene-2-carboxylic acid. LogP 0.4 Topological Polar Surface Area 89.9 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 6 Rotatable Bonds 3 Exact Mass 250.04774 Heavy Atoms 18 Complexity 511.0 InChI Key: TYVWJXPAUKXIDJ-SCZZXKLOSA-N. SMILES: CC(=O)OC1=CC2C(C=C1)C(=O)C=C(O2)C(=O)O.

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