Name: diethyl 2-aminofumarate
SMILES:
CCOC(=O)/C=C(\N)C(=O)OCCMolecular Processing
Molecular formula
C8H13NO4
Molecular weight
187.19
Exact mass
187.0845
XLogP
-0.04
TPSA
78.62
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
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
0.5
Molar refractivity
45.54
Supplementary Information
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