Ethyl 3-oxo-3-(pyridin-3-yl)propanoate

C₁₀H₁₁NO₃CAS 6283-81-4193.20 g/mol

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Properties

Molecular formula: C₁₀H₁₁NO₃
Molar mass: 193.20 g/mol
Exact mass: 193.0739 Da
logP: 1.22Crippen estimate
Polar surface area: 56.3 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

6283-81-4

SMILES

CCOC(=O)CC(=O)C1=CN=CC=C1

InChIKey

APQGYFNHIWMRIJ-UHFFFAOYSA-N

InChI

InChI=1S/C10H11NO3/c1-2-14-10(13)6-9(12)8-4-3-5-11-7-8/h3-5,7H,2,6H2,1H3

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Names and synonyms

1 names

3-Oxo-3-pyridin-3-yl-propionic acid ethyl ester

Work with Ethyl 3-oxo-3-(pyridin-3-yl)propanoate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methyl β-oxo-3-pyridinepropanoate54950-20-870 % similar Ethyl 3-(4-pyridyl)-3-oxopropionate26377-17-369 % similar Ethyl benzoylacetate94-02-068 % similar Ethyl nicotinate614-18-663 % similar Ethyl 3-pyridineacetate39931-77-660 % similar 3-(3-Bromo-phenyl)-3-oxo-propionic acid ethyl ester21575-91-759 % similar 3-(3-Fluoro-phenyl)-3-oxo-propionic acid ethyl ester33166-77-759 % similar 3-Oxo-3-M-tolyl-propionic acid ethyl ester33166-79-959 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

N-Benzoyl-DL-alanine1205-02-3 Methyl 4-((hydroxyimino)methyl)-2-methylbenzoate1261169-50-9 (3S)-7-Hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid128502-56-7 N-Formyl-L-phenylalanine13200-85-6 Ethyl oxanilate1457-85-8 (3R)-7-Hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid152286-30-1 N-Acetyl-DL-phenylglycine15962-46-6 Actarit18699-02-0

Elsewhere

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