SMILES:
CC1=C(C(=O)[O-])CC(C(=O)[O-])=C(C)N1Molecular Processing
Molecular formula
C9H9NO4-2
Molecular weight
195.17
Exact mass
195.0543
XLogP
-1.97
TPSA
92.29
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
14
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
-2
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
43.17
Supplementary Information
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