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
- Formal charge
- 0
- Complexity
- 220
Related reactions
18 records
Compound notes
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