HIT ID: HIT100304425

Cas No: 1125-21-9

分子式: C9H12O2

分子量: 152.193

常用名: Ketoisophorone

氢键受体数 (HBA): 2

氢键供体数 (HBD): 0

LogP: 1.029000000000000e+000

IUPAC: 2,6,6-trimethylcyclohex-2-ene-1,4-dione

SMILES: CC1=CC(=O)CC(C)(C)C1=O |t:1|

InChI key: AYJXHIDNNLJQDT-UHFFFAOYSA-N