Name: iminosuccinic acid diethyl ester
SMILES:
CCOC(=O)CC(=N)C(=O)OCCMolecular Processing
Molecular formula
C8H13NO4
Molecular weight
187.19
Exact mass
187.0845
XLogP
0.52
TPSA
76.45
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
13
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
45.61
Supplementary Information
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