Nom: 6-methoxycarbonylmethoxy-5-nitro-nicotinic acid ethyl ester
SMILES:
CCOC(=O)c1cnc(OCC(=O)OC)c([N+](=O)[O-])c1Molecular Processing
Molecular formula
C11H12N2O7
Molecular weight
284.22
Exact mass
284.0645
XLogP
0.72
TPSA
117.86
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
20
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
64.36
Supplementary Information
Récupération des détails…
Impliqué dans 6 réactions→