2-Methoxyethyl 3-oxobutanoate

C₇H₁₂O₄CAS 22502-03-0160.17 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₁₂O₄
Molar mass: 160.17 g/mol
Exact mass: 160.0736 Da
Boiling point: 90 °C (at 3 Torr)
logP: 0.16Crippen estimate
Polar surface area: 52.6 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 5

Identifiers

CAS number

22502-03-0

SMILES

COCCOC(=O)CC(C)=O

InChIKey

PLHCSZRZWOWUBW-UHFFFAOYSA-N

InChI

InChI=1S/C7H12O4/c1-6(8)5-7(9)11-4-3-10-2/h3-5H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names

Butanoic acid, 3-oxo-, 2-methoxyethyl ester
Acetoacetic acid, 2-methoxyethyl ester
Ethanol, 2-methoxy-, acetoacetate
2-Methoxyethyl acetoacetate
3-Oxo-butyric acid 2-methoxy-ethyl ester

Work with 2-Methoxyethyl 3-oxobutanoate

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

Same formula

Diethyl malonate105-53-3 Monoethyl glutarate1070-62-8 Pimelic acid111-16-0 Dimethyl glutarate1119-40-0 1,3-Dimethyl 2-ethylpropanedioate26717-67-9 Poly(glyceryl methacrylate)28474-30-8 (±)-3-Methyladipic acid3058-01-3 1-Methyl 2,2-dimethylbutanedioate32980-26-0

Elsewhere

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