chempirical

Ethyl 3-furoate

C7H8O3CAS 614-98-2140.14 g/mol

Open in Covalent MOL file
OOO
Ester

Properties

Molecular formula
C7H8O3
Molar mass
140.14 g/mol
Exact mass
140.0473 Da
Boiling point
93–95 °C
logP
1.46Crippen estimate
Polar surface area
39.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
614-98-2
SMILES
CCOC(=O)c1ccoc1
InChIKey
LOFDXZJSDVCYAS-UHFFFAOYSA-N
InChI
InChI=1S/C7H8O3/c1-2-10-7(8)6-3-4-9-5-6/h3-5H,2H2,1H3

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

Names and synonyms

4 names
  • 3-Furancarboxylic acid, ethyl ester
  • 3-Furoic acid, ethyl ester
  • Ethyl 3-furancarboxylate
  • NSC 349939

Work with Ethyl 3-furoate

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 terephthalate636-09-963 % similar Methyl furan-3-carboxylate13129-23-261 % similar Ethyl benzoate93-89-058 % similar 1,3-Diethyl 1,3-benzenedicarboxylate636-53-356 % similar Ethyl isonicotinate1570-45-254 % similar Ethyl 4-methylbenzoate94-08-654 % similar Ethylparaben120-47-853 % similar Ethyl 4-ethoxybenzoate23676-09-753 % similar

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

Same formula

Ethyl 2-furoate1335-40-6 5-Methoxyresorcinol2174-64-3 Methyl 5-methyl-2-furancarboxylate2527-96-0 3,5-Dihydroxybenzyl alcohol29654-55-5 Rel-(3ar,6as)-tetrahydro-1H-cyclopenta[C]furan-1,3(3ah)-dione35878-28-5 2-Acetyl-1,3-cyclopentanedione3859-39-0 3,4-Dihydroxybenzyl alcohol3897-89-0 Ethyl maltol4940-11-8

Elsewhere

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