2H-1-Benzopyran-2-one, 3,4-dihydro-4,4,7-trimethyl-

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Basic information

CAS: 105640-09-3
Standard SMILES: Cc1ccc2c(c1)OC(=O)CC2(C)C
InChIKey: VQVDMHKSWDUCTO-UHFFFAOYSA-N
Molecular formula: C12H14O2
Average molar mass: 190.24 g/mol
Monoisotopic mass: 190.09937969

Names & identifiers

Preferred name: 2H-1-Benzopyran-2-one, 3,4-dihydro-4,4,7-trimethyl-
IUPAC: 4,4,7-trimethyl-3H-chromen-2-one

Names & synonyms

105640-09-32H-1-Benzopyran-2-one, 3,4-dihydro-4,4,7-trimethyl-DTXSID60344917RefChem:268142DTXCID80295992SCHEMBL8561411VQVDMHKSWDUCTO-UHFFFAOYSA-N4,4,7-Trimethyl-2-chromanone #Coumarin, 3,4-dihydro-4,4,7-trimethyl-4,4,7-Trimethyl-3,4-dihydro-2H-1-benzopyran-2-one

Database identifiers

CAS: 105640-09-3
PubChem CID: 600374
DTXSID: DTXSID60344917

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 245

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Compound notes

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