CC1=CC(C)C(C=O)CC1
名称: 2,4-dimethyl-3-cyclohexenecarboxaldehyde
SMILES: CC1=CC(C)C(C=O)CC1

Molecular Processing

Molecular formula
C9H14O
Molecular weight
138.21
Exact mass
138.1045
XLogP
2.18
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
10
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
41.71

Supplementary Information

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