Name: methyl 5-hydroxy-6-nitronicotinate
SMILES:
COC(=O)c1cnc([N+](=O)[O-])c(O)c1Molecular Processing
Molecular formula
C7H6N2O5
Molecular weight
198.13
Exact mass
198.0277
XLogP
0.48
TPSA
102.56
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
14
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
0.143
Molar refractivity
43.9
Supplementary Information
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