Name: ethyl 2-cyano-2-methylpropanoate
SMILES:
CCOC(=O)C(C)(C)C#NMolecular Processing
Molecular formula
C7H11NO2
Molecular weight
141.17
Exact mass
141.079
XLogP
1.1
TPSA
50.09
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
0.714
Molar refractivity
36.03
Supplementary Information
Details werden geladen…
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