이름: 3-cyano-3-methyl-2-oxopropanoic acid ethyl ester
SMILES:
CCOC(=O)C(=O)C(C)C#NMolecular Processing
Molecular formula
C7H9NO3
Molecular weight
155.15
Exact mass
155.0582
XLogP
0.28
TPSA
67.16
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
11
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
36.42
Supplementary Information
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