SMILES:
Cc1cc(C(=O)O)[nH]c1C=OMolecular Processing
Molecular formula
C7H7NO3
Molecular weight
153.14
Exact mass
153.0426
XLogP
0.83
TPSA
70.16
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
37.88
Supplementary Information
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