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
IUPAC: 2,6,6-trimethylcyclohex-2-ene-1,4-dione
SMILES: CC1=CC(=O)CC(C)(C)C1=O |t:1|
SMILES: CC1=CC(=O)CC(C)(C)C1=O |t:1|
InChI key: AYJXHIDNNLJQDT-UHFFFAOYSA-N