CC1=CC(=CC=C1)C2(CCC(=O)CC2)O
CAS: 40503-14-8
名称: 4-hydroxy-4-(3-methylphenyl)cyclohexan-1-one
SMILES: CC1=CC(=CC=C1)C2(CCC(=O)CC2)O

Molecular Processing

Molecular formula
C13H16O2
Molecular weight
204.27
Exact mass
204.115
XLogP
2.33
TPSA
37.3
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
58.55

Supplementary Information

InChIKey: VKWUQXIOHSUGKU-UHFFFAOYSA-N
同義語
SCHEMBL615351VKWUQXIOHSUGKU-UHFFFAOYSA-N4-hydroxy-4-m-tolyl-cyclohexanoneAKOS01525764840503-14-8DB-113340
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