이름: 3-phenylcyclohex-2-enone
SMILES:
O=C1C=C(c2ccccc2)CCC1Molecular Processing
Molecular formula
C12H12O
Molecular weight
172.23
Exact mass
172.0888
XLogP
2.82
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
53.28
Supplementary Information
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