CCOC(=O)CC(=O)C1=CC=NC=C1
CAS: 26377-17-3
Nombre: ethyl 3-oxo-3-pyridin-4-ylpropanoate
SMILES: CCOC(=O)CC(=O)C1=CC=NC=C1

Molecular Processing

Molecular formula
C10H11NO3
Molecular weight
193.2
Exact mass
193.0739
XLogP
1.22
TPSA
56.26
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
14
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
0.3
Molar refractivity
49.82

Supplementary Information

InChIKey: PCJNYGPKMQQCPX-UHFFFAOYSA-N
Sinónimos
26377-17-3Ethyl 3-(4-pyridyl)-3-oxopropionate4-Pyridinepropanoic acid, beta-oxo-, ethyl esterEINECS 247-635-1DTXSID40180976RefChem:594694DTXCID80103467247-635-1ethyl isonicotinoylacetateethyl 3-oxo-3-(pyridin-4-yl)propanoateMFCD00094021ethyl 3-oxo-3-(4-pyridyl)propionateethyl 3-oxo-3-pyridin-4-ylpropanoate3-Oxo-3-pyridin-4-yl-propionic acid ethyl esterethyl 3-oxo-3-(4-pyridyl)propanoateethyl 3-oxo-3-(4-pyridinyl)propanoateethyl isonicotinoyl acetateEthyl (Isonicotinoyl)acetateOprea1_792658ETHYLISONICOTINYLACETATESCHEMBL315471CHEMBL2035667Ethyl ss-oxo-4-pyridinepropanoateEthyl beta-oxo-4-pyridinepropanoateIsonicotinoylacetic acid ethyl esterSBB010111STL124112AKOS000265392(Isonicotinoyl)acetic Acid Ethyl EsterCS-W002366
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