SMILES:
C=CC(=O)OCC1CNC(=O)O1Molecular Processing
Molecular formula
C7H9NO4
Molecular weight
171.15
Exact mass
171.0532
XLogP
-0.18
TPSA
64.63
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
12
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
39.43
Supplementary Information
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