chempirical

Ethyl 3-(2-furyl)-3-oxopropanoate

C9H10O4CAS 615-09-8182.18 g/mol

Open in Covalent MOL file
OOOO
EsterKetone

Properties

Molecular formula
C9H10O4
Molar mass
182.18 g/mol
Exact mass
182.0579 Da
logP
1.42Crippen estimate
Polar surface area
56.5 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

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
615-09-8
SMILES
CCOC(=O)CC(=O)C1=CC=CO1
InChIKey
PKHYBBXBBXOGMZ-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O4/c1-2-12-9(11)6-7(10)8-4-3-5-13-8/h3-5H,2,6H2,1H3

Weigh it out

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

Names and synonyms

1 names
  • Ethyl 3-(fur-2-yl)-3-oxopropanoate

Work with Ethyl 3-(2-furyl)-3-oxopropanoate

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 2-furoate1335-40-661 % similar Ethyl 2-furoate614-99-361 % similar Ethyl benzoylacetate94-02-059 % similar Ethyl 2-methyl-β-oxobenzenepropanoate51725-82-757 % similar 1-(2-Furanyl)-1,3-butanedione25790-35-656 % similar 3-(2-Fluoro-phenyl)-3-oxo-propionic acid ethyl ester1479-24-956 % similar Ethyl 2-furanpropanoate10031-90-055 % similar 3-Oxo-3-thiophen-2-yl-propionic acid ethyl ester13669-10-855 % similar

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

Same formula

4-Methoxymandelic acid10502-44-0 Dihydrocaffeic acid1078-61-1 3-Hydroxy-4-methoxybenzeneacetic acid1131-94-8 3,5-Dimethoxybenzoic acid1132-21-4 5-Norbornene-2-endo,3-exo-dicarboxylic acid1200-88-0 Syringaldehyde134-96-3 2,6-Dimethoxybenzoic acid1466-76-8 2,3-Dimethoxybenzoic acid1521-38-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook