Name: ethyl 2-(1-ethoxyvinyl)nicotinate
SMILES:
C=C(OCC)c1ncccc1C(=O)OCCMolecular Processing
Molecular formula
C12H15NO3
Molecular weight
221.26
Exact mass
221.1052
XLogP
2.27
TPSA
48.42
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
16
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
0.333
Molar refractivity
60.85
Supplementary Information
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