CC(C)=O.c1ccccc1
Name: benzene acetone
SMILES: CC(C)=O.c1ccccc1

Molecular Processing

Molecular formula
C9H12O
Molecular weight
136.19
Exact mass
136.0888
XLogP
2.28
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
2
Fraction Csp3
0.222
Molar refractivity
42.8

Supplementary Information

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