chempirical

Methyl 4-methoxyacetoacetate

C6H10O4CAS 41051-15-4146.14 g/mol

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EsterEtherKetone

Properties

Molecular formula
C6H10O4
Molar mass
146.14 g/mol
Exact mass
146.0579 Da
logP
-0.23Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

Identifiers

CAS number
41051-15-4
SMILES
COCC(=O)CC(=O)OC
InChIKey
QGBPKJFJAVDUNC-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O4/c1-9-4-5(7)3-6(8)10-2/h3-4H2,1-2H3

Weigh it out

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

Names and synonyms

8 names
  • Butanoic acid, 4-methoxy-3-oxo-, methyl ester
  • 4-Methoxyacetoacetic acid methyl ester
  • Methyl γ-methoxyacetoacetate
  • Methyl 4-methoxy-3-oxobutanoate
  • γ-Methoxyacetoacetic acid methyl ester
  • Methyl 4-methoxy-3-oxobutyrate
  • 4-Methoxy-3-oxobutanoic acid methyl ester
  • 4-Methoxy-3-oxo-butyric acid methyl ester

Work with Methyl 4-methoxyacetoacetate

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

1,5-Dimethyl 3-oxopentanedioate1830-54-271 % similar Methyl methoxyacetate6290-49-964 % similar Methyl 3-oxopentanoate30414-53-061 % similar Dimethyl 3-oxohexanedioate5457-44-361 % similar Methyl 4-chloroacetoacetate32807-28-659 % similar Dimethyl malonate108-59-858 % similar Methyl 3-oxohexanoate30414-54-157 % similar Methyl 3-oxoheptanoate39815-78-653 % similar

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

Same formula

Dimethyl succinate106-65-0 Monoethyl succinate1070-34-4 Glycol diacetate111-55-7 Adipic acid124-04-9 Glucal13265-84-4 Monomethyl glutarate1501-27-5 2-Methylglutaric acid18069-17-5 D-Galactal21193-75-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook