名称: 2-cyanoethyl acetoacetate
SMILES:
CC(=O)CC(=O)OCCC#NMolecular Processing
Molecular formula
C7H9NO3
Molecular weight
155.15
Exact mass
155.0582
XLogP
0.42
TPSA
67.16
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
11
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
36.49
Supplementary Information
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