SMILES:
CCOC(=O)c1cc2cc(C(=O)O)ccc2[nH]1Molecular Processing
Molecular formula
C12H11NO4
Molecular weight
233.22
Exact mass
233.0688
XLogP
2.04
TPSA
79.39
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
61.21
Supplementary Information
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