이름: tert-butyl 5-cyano-3-methylpicolinate
SMILES:
Cc1cc(C#N)cnc1C(=O)OC(C)(C)CMolecular Processing
Molecular formula
C12H14N2O2
Molecular weight
218.26
Exact mass
218.1055
XLogP
2.22
TPSA
62.98
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
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
0.417
Molar refractivity
58.86
Supplementary Information
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