COC(=O)CC(=O)C1=CN=CC=C1
CAS: 54950-20-8
Nombre: methyl 3-oxo-3-pyridin-3-ylpropanoate
SMILES: COC(=O)CC(=O)C1=CN=CC=C1

Molecular Processing

Molecular formula
C9H9NO3
Molecular weight
179.18
Exact mass
179.0582
XLogP
0.83
TPSA
56.26
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
13
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
0.222
Molar refractivity
45.2

Supplementary Information

InChIKey: JUQKVXRLRKKRPL-UHFFFAOYSA-N
Sinónimos
54950-20-8Methyl (3-pyridinecarbonyl)acetate3-Pyridinepropanoic acid, beta-oxo-, methyl ester3-Pyridinepropanoic acid, .beta.-oxo-, methyl esterRefChem:505231611-214-4Methyl nicotinoylacetatemethyl 3-oxo-3-(pyridin-3-yl)propanoatemethyl 3-oxo-3-pyridin-3-ylpropanoateMFCD00216524methyl 3-oxo-3-(3-pyridyl)propanoateMethyl3-oxo-3-(pyridin-3-yl)propanoate3-oxo-3-pyridin-3-ylpropionic acid methyl esterSCHEMBL82139Methyl 2-(nicotinoyl)acetateSCHEMBL5397185DTXSID1068986SCHEMBL10542805SCHEMBL30489909AB9779SBB058960AKOS006221197methyl-3-oxo-3(3-pyridinyl)propanoatePS-5059methyl 3-oxo-3-pyridine-3-ylpropanoateBP-11289SY062689DB-052666CS-0103379NS00033212
Ver fuente →
Participa en 17 reacciones→

Busqueda Extendida

Busqueda de Subestructura→Busqueda de Similitud→