SMILES:
O=C([O-])C=CC(=O)OMolecular Processing
Molecular formula
C4H3O4-
Molecular weight
115.06
Exact mass
115.0037
XLogP
-1.62
TPSA
77.43
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
8
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
-1
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
21.78
Supplementary Information
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