SMILES:
CC(=O)CC#NMolecular Processing
Molecular formula
C4H5NO
Molecular weight
83.09
Exact mass
83.0371
XLogP
0.49
TPSA
40.86
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
6
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
20.91
Supplementary Information
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