4-Methylbicyclo(3.2.1)oct-3-en-2-one

HCID 565676

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Basic information

CAS: 62702-89-0
Standard SMILES: CC1=CC(=O)C2CCC1C2
InChIKey: FPPYDYAQKZHWRA-UHFFFAOYSA-N
Molecular formula: C9H12O
Average molar mass: 136.19 g/mol
Monoisotopic mass: 136.088815

Names & identifiers

Preferred name: 4-Methylbicyclo(3.2.1)oct-3-en-2-one
IUPAC: 4-methylbicyclo[3.2.1]oct-3-en-2-one

Names & synonyms

62702-89-04-Methylbicyclo[3.2.1]oct-3-en-2-one4-Methylbicyclo(3.2.1)oct-3-en-2-oneRefChem:294562Bicyclo[3.2.1]oct-3-en-2-one, 4-methyl-DTXSID30340567FPPYDYAQKZHWRA-UHFFFAOYSA-N4-methylbicyclo(3,2,1)oct-3-en-2-one4-Methylbicyclo[3.2.1]oct-3-en-2-one #

Database identifiers

CAS: 62702-89-0
PubChem CID: 565676
DTXSID: DTXSID30340567

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 203

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