CAS: 191157-01-4
名称: benzyl 6-oxo-1H-pyridine-3-carboxylate
SMILES:
C1=CC=C(C=C1)COC(=O)C2=CNC(=O)C=C2Molecular Processing
Molecular formula
C13H11NO3
Molecular weight
229.23
Exact mass
229.0739
XLogP
1.73
TPSA
59.16
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.077
Molar refractivity
62.62
Supplementary Information
InChIKey: HGBIRINXNOIQIR-UHFFFAOYSA-N
同義語
BENZYL 6-HYDROXYNICOTINATE191157-01-4DTXSID30427468RefChem:328535DTXCID50378302benzyl 6-oxo-1H-pyridine-3-carboxylate3-Pyridinecarboxylic acid, 1,6-dihydro-6-oxo-, phenylmethyl esterbenzyl 6-oxo-1,6-dihydropyridine-3-carboxylatebenzyl 6-hydroxy-nicotinateSCHEMBL4252766SCHEMBL4886266BENZYL6-HYDROXYNICOTINATE6-oxo-1,6-dihydro-pyridine-3-carboxylic acid benzyl esterHGBIRINXNOIQIR-UHFFFAOYSA-NAKOS024318897AS-76258DB-108460CS-0448981phenylmethyl 6-hydroxy-3-pyridinecarboxylatephenylmethyl 6-hydroxypyridine-3-carboxylateST50407269F1914-8416
10 件の反応に参加→