Name: (E)-2-acetyl-3-dimethylamino-acrylonitrile
SMILES:
CC(=O)/C(C#N)=C/N(C)CMolecular Processing
Molecular formula
C7H10N2O
Molecular weight
138.17
Exact mass
138.0793
XLogP
0.54
TPSA
44.1
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
10
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
38.06
Supplementary Information
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