2H-1-Benzopyran-2-one, 3,4-dihydro-4,4-dimethyl-

HCID 595333

Basic information

Standard SMILES
CC1(C)CC(=O)Oc2ccccc21
InChIKey
ZBSFDCKGUFSQLN-UHFFFAOYSA-N
Molecular formula
C11H12O2
Average molar mass
176.21 g/mol

Names & identifiers

Preferred name
2H-1-Benzopyran-2-one, 3,4-dihydro-4,4-dimethyl-
IUPAC
4,4-dimethyl-3H-chromen-2-one

Names & synonyms

2H-1-Benzopyran-2-one, 3,4-dihydro-4,4-dimethyl-29598-22-94,4-dimethyl-3H-chromen-2-oneCoumarin, 3,4-dihydro-4,4-dimethyl-4,4-Dimethyl-2-oxo-chroman4.4-Dimethyl-2-oxo-chroman4,4-Dimethyl-2-chromanone #SCHEMBL14049263,4-dihydro-4,4-dimethyl-2-oxo-2H-1-benzopyran

Database identifiers

PubChem CID
595333
Nikkaji
J1.338.982I

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
13

Related reactions

18 records

Compound notes

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