SMILES:
COC(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1Molecular Processing
Molecular formula
C9H7NO6
Molecular weight
225.16
Exact mass
225.0273
XLogP
1.08
TPSA
106.74
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
51.4
Supplementary Information
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