SMILES:
O=C(O)C1CC=CN1C(=O)OMolecular Processing
Molecular formula
C6H7NO4
Molecular weight
157.12
Exact mass
157.0375
XLogP
0.34
TPSA
77.84
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
11
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
35.04
Supplementary Information
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