Methyl 4-oxobutanoate

C5H8O3CAS 13865-19-5116.12 g/mol

OOO
AldehydeEster

Properties

Molecular formula
C5H8O3
Molar mass
116.12 g/mol
Exact mass
116.0473 Da
Boiling point
62 °C (at 10 Torr)
logP
0.14Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
13865-19-5
SMILES
COC(=O)CCC=O
InChIKey
DLZVZNAPRCRXEG-UHFFFAOYSA-N
InChI
InChI=1S/C5H8O3/c1-8-5(7)3-2-4-6/h4H,2-3H2,1H3

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Names and synonyms

15 names · show all
  • Butanoic acid, 4-oxo-, methyl ester
  • Succinaldehydic acid, methyl ester
  • Methyl β-formylpropionate
  • 3-(Methoxycarbonyl)propionaldehyde
  • Methyl 3-formylpropionate
  • β-(Methoxycarbonyl)propionaldehyde
  • Methyl 4-oxobutyrate
  • 3-Carbomethoxypropionaldehyde
  • β-Carbomethoxypropionaldehyde
  • 3-Formylpropionic acid methyl ester
  • Methoxycarbonylpropanal
  • 3-(Methoxycarbonyl)propanal
  • 4-Oxobutanoic acid methyl ester
  • Methyl 3-formylpropanoate
  • 4-Oxobutyric acid methyl ester

Work with Methyl 4-oxobutanoate

Similar compounds

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

Same formula

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