Ethyl 2,4-dioxovalerate

C7H10O4CAS 615-79-2158.15 g/mol

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EsterKetone

Properties

Molecular formula
C7H10O4
Molar mass
158.15 g/mol
Exact mass
158.0579 Da
Melting point
18 °C
Boiling point
214 °C
logP
0.10Crippen estimate
Polar surface area
60.4 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
615-79-2
SMILES
CCOC(=O)C(=O)CC(C)=O
InChIKey
OYQVQWIASIXXRT-UHFFFAOYSA-N
InChI
InChI=1S/C7H10O4/c1-3-11-7(10)6(9)4-5(2)8/h3-4H2,1-2H3

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

Names and synonyms

10 names
  • Pentanoic acid, 2,4-dioxo-, ethyl ester
  • NSC 97434
  • Valeric acid, 2,4-dioxo-, ethyl ester
  • Ethyl acetopyruvate
  • Ethoxalylacetone
  • Ethyl 2,4-dioxopentanoate
  • Ethyl (acetylmethyl)glyoxylate
  • Ethyl acetylpyruvate
  • 2,4-Dioxopentanoic acid ethyl ester
  • NSC 1243

Reactions

Work with Ethyl 2,4-dioxovalerate

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Diethyl oxalacetate108-56-563 % similar Methyl acetopyruvate20577-61-160 % similar Ethyl 2,4-dioxohexanoate13246-52-159 % similar Ethyl 2-oxobutanoate15933-07-059 % similar Ethyl acetoacetate141-97-957 % similar Ethyl 2-oxovalerate50461-74-055 % similar Ethyl bromopyruvate70-23-555 % similar Diethyl oxalate95-92-154 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

trans-1,2-Cyclopentanedicarboxylic acid1461-97-8 2,2,5-Trimethyl-1,3-dioxane-4,6-dione3709-18-0 1,3-Cyclopentanedicarboxylic acid4056-78-4 Methyl 2-acetyl-3-oxobutanoate4619-66-3 Succinylacetone51568-18-4 Dimethyl itaconate617-52-7 Dimethyl 1,1-cyclopropanedicarboxylate6914-71-2 Allylidene diacetate869-29-4

Elsewhere

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