CAS: 78-59-1
이름: 3,5,5-trimethylcyclohex-2-en-1-one
SMILES:
CC1=CC(=O)CC(C)(C)C1Molecular Processing
Molecular formula
C9H14O
Molecular weight
138.21
Exact mass
138.1045
XLogP
2.32
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
10
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
41.78
Supplementary Information
InChIKey: HJOVHMDZYOCNQW-UHFFFAOYSA-N
동의어
ISOPHORONE78-59-1Isoacetophorone3,5,5-Trimethylcyclohex-2-en-1-one3,5,5-Trimethyl-2-cyclohexen-1-oneIsoforoneIsoforonIsooctopheroneIzoforonalpha-IsophoroneIsophoron2-Cyclohexen-1-one, 3,5,5-trimethyl-1,1,3-Trimethyl-3-cyclohexene-5-one3,5,5-Trimethyl-2-cyclohexenoneNCI-C55618FEMA No. 35533,5,5-Trimethyl-2-cyclohexen-1-on3,5,5-Trimetil-2-cicloesen-1-oneDTXSID80207592BR99VR6WAEPA Pesticide Chemical Code 0474013,5,5-Trimethyl-2-cyclohexene-1-oneISOACETOPHORONAI3-00046NSC-403657DTXCID40759CHEBI:348001,3,3-TRIMETHYLCYLOHEXEN-5-ONE1,5,5-TRIMETHYL-3-OXOCYCLOHEXENEalpha-Isophoron
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