Name: 4-oxo-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester
SMILES:
COC(=O)c1c[nH]cc(C(=O)OC)c1=OMolecular Processing
Molecular formula
C9H9NO5
Molecular weight
211.17
Exact mass
211.0481
XLogP
-0.05
TPSA
85.46
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
49.74
Supplementary Information
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