SMILES:
C=C1C(=O)c2ccccc2C1(C)CMolecular Processing
Molecular formula
C12H12O
Molecular weight
172.23
Exact mass
172.0888
XLogP
2.72
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
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
52.94
Supplementary Information
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