이름: 2-methyl-3-butenenitrile
SMILES:
C=CC(C)C#NMolecular Processing
Molecular formula
C5H7N
Molecular weight
81.12
Exact mass
81.0578
XLogP
1.33
TPSA
23.79
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
6
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
24.97
Supplementary Information
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