chempirical

Ethyl 3-oxopentanoate

C7H12O3CAS 4949-44-4144.17 g/mol

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EsterKetone

Properties

Molecular formula
C7H12O3
Molar mass
144.17 g/mol
Exact mass
144.0786 Da
Density
1.0527 g/mL (at 20 °C)
Melting point
98 °C
Boiling point
191 °C
logP
0.92Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

Identifiers

CAS number
4949-44-4
SMILES
CCOC(=O)CC(=O)CC
InChIKey
UDRCONFHWYGWFI-UHFFFAOYSA-N
InChI
InChI=1S/C7H12O3/c1-3-6(8)5-7(9)10-4-2/h3-5H2,1-2H3

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Names and synonyms

14 names · show all
  • Valeric acid, 3-oxo-, ethyl ester
  • Ethyl propionylacetate
  • Ethyl 3-ketopentanoate
  • Ethyl 3-oxovalerate
  • Ethyl propioacetate
  • Propionylacetic acid ethyl ester
  • Ethyl β-oxovalerate
  • Ethyl propanoylacetate
  • NSC 7251
  • NSC 78662
  • 3-Oxopentanoic acid ethyl ester
  • 3-Oxovaleric acid ethyl ester
  • Ethyl propionoylacetate
  • Pentanoic acid, 3-oxo-, ethyl ester

Work with Ethyl 3-oxopentanoate

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 malonate105-53-367 % similar Ethyl 4-bromoacetoacetate13176-46-066 % similar Ethyl 3-oxohexanoate3249-68-166 % similar Ethyl 4-chloroacetoacetate638-07-366 % similar Ethyl propionate105-37-364 % similar Methyl 3-oxopentanoate30414-53-061 % similar Ethyl 2,4-dioxohexanoate13246-52-158 % similar 3,5-Heptanedione7424-54-654 % similar

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

Same formula

Ethyl 3-ethoxy-2-propenoate1001-26-9 Methyl tetrahydropyran-4-carboxylate110238-91-0 4-(2-Hydroxypropoxy)-2-butyn-1-ol1606-79-7 Ethyl tetrahydrofuroate16874-34-3 4-Hydroxycyclohexanecarboxylic acid17419-81-7 Ethyl 3-methyl-2-oxobutanoate20201-24-5 4-Hydroxybutyl acrylate2478-10-6 Polyethylene glycol methyl ether methacrylate26915-72-0

Elsewhere

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