3,4-Dihydro-4,4-dimethyl-7,8-benzocoumarin

HCID 44153231

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Basic information

CAS: 94109-70-3
Standard SMILES: CC1(C)CC(=O)Oc2c1ccc1ccccc21
InChIKey: MIWUQSAQQBUPAR-UHFFFAOYSA-N
Molecular formula: C15H14O2
Average molar mass: 226.27 g/mol
Monoisotopic mass: 226.09937969

Names & identifiers

Preferred name: 3,4-Dihydro-4,4-dimethyl-7,8-benzocoumarin
IUPAC: 4,4-dimethyl-3H-benzo[h]chromen-2-one
English name: 3,4-dihydro-4,4-dimethyl-7,8-benzocoumarin
Molecular formula: C15H14O2
Molecular weight: 226.27046

Names & synonyms

3,4-Dihydro-4,4-dimethyl-7,8-benzocoumarin94109-70-3EINECS 302-510-1SCHEMBL2137292DTXSID40240620MIWUQSAQQBUPAR-UHFFFAOYSA-NNS000400714,4-Dimethyl-3,4-dihydro-2H-naphtho[1,2-b]pyran-2-one3,4-Dihydro-4,4-dimethyl-2H-naphtho[1,2-b]pyran-2-one

Database identifiers

CAS: 94109-70-3
PubChem CID: 44153231
DTXSID: DTXSID40240620
EC Number: 302-510-1
Nikkaji: J368.119J

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 17
Formal charge: 0
Complexity: 321

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