Name: benzoylcyanide
SMILES:
N#CC(=O)c1ccccc1Molecular Processing
Molecular formula
C8H5NO
Molecular weight
131.13
Exact mass
131.0371
XLogP
1.39
TPSA
40.86
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0
Molar refractivity
36.39
Supplementary Information
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