3-Ethoxy-2,2-dimethyl-3-oxopropanoic acid

C₇H₁₂O₄CAS 5471-77-2160.17 g/mol

Open in Covalent MOL file

Carboxylic acid Ester

Properties

Molecular formula: C₇H₁₂O₄
Molar mass: 160.17 g/mol
Exact mass: 160.0736 Da
logP: 0.66Crippen estimate
Polar surface area: 63.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

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

5471-77-2

SMILES

CCOC(=O)C(C)(C)C(=O)O

InChIKey

WDWFSABLPAHCPF-UHFFFAOYSA-N

InChI

InChI=1S/C7H12O4/c1-4-11-6(10)7(2,3)5(8)9/h4H2,1-3H3,(H,8,9)

Weigh it out

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Work with 3-Ethoxy-2,2-dimethyl-3-oxopropanoic acid

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

Ethyl pivalate3938-95-253 % similar Ethyl 2-bromoisobutyrate600-00-053 % similar Ethyl 2-hydroxyisobutyrate80-55-753 % similar Dimethylmalonic acid595-46-052 % similar Ethyl 1-methylcyclopropanecarboxylate71441-76-450 % similar 1,3-Diethyl 2-ethyl-2-methylpropanedioate2049-70-948 % similar Diethyl bis(hydroxymethyl)malonate20605-01-048 % similar 2,2-Difluoropropionic acid ethyl ester28781-85-348 % similar

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

Same formula

Diethyl malonate105-53-3 Monoethyl glutarate1070-62-8 Pimelic acid111-16-0 Dimethyl glutarate1119-40-0 2-Methoxyethyl 3-oxobutanoate22502-03-0 Dimethyl (R)-(+)-methylsuccinate22644-27-5 1,3-Dimethyl 2-ethylpropanedioate26717-67-9 Poly(glyceryl methacrylate)28474-30-8

Elsewhere

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