SMILES:
O=C(O)CCc1cc(O)no1Molecular Processing
Molecular formula
C6H7NO4
Molecular weight
157.12
Exact mass
157.0375
XLogP
0.4
TPSA
83.56
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
34.12
Supplementary Information
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