chempirical

3-Oxo-propionic acid ethyl ester

C5H8O3CAS 34780-29-5116.12 g/mol

Open in Covalent MOL file
OOO
AldehydeEster

Properties

Molecular formula
C5H8O3
Molar mass
116.12 g/mol
Exact mass
116.0473 Da
logP
0.14Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 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
34780-29-5
SMILES
CCOC(=O)CC=O
InChIKey
SYFFHRPDTQNMQB-UHFFFAOYSA-N
InChI
InChI=1S/C5H8O3/c1-2-8-5(7)3-4-6/h4H,2-3H2,1H3

Weigh it out

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Work with 3-Oxo-propionic acid ethyl ester

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 3-hexenoate2396-83-059 % similar Diethyl malonate105-53-356 % similar Diethyl succinate123-25-156 % similar Ethyl propionate105-37-354 % similar Diethyl glutarate818-38-254 % similar Diethyl adipate141-28-652 % similar Ethyl bromoacetate105-36-250 % similar Ethyl chloroacetate105-39-550 % similar

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

Same formula

Methyl acetoacetate105-45-3 Levulinic acid123-76-2 Methyl 4-oxobutanoate13865-19-5 Tetrahydro-2-furoic acid16874-33-2 Alpha-ketovaleric acid1821-02-9 3-Hydroxycyclobutanecarboxylic acid194788-10-8 3-Methyl-3-oxetanecarboxylic Acid28562-68-7 (S)-5-Hydroxymethyldihydrofuran-2-one32780-06-6

Elsewhere

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