chempirical

Ethyl 2-furoate

C7H8O3CAS 1335-40-6140.14 g/mol

Open in Covalent MOL file
OOO
Ester

Properties

Molecular formula
C7H8O3
Molar mass
140.14 g/mol
Exact mass
140.0473 Da
Melting point
48–50 °C
Boiling point
90 °C (at 15 Torr)
logP
1.46Crippen estimate
Polar surface area
39.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
1335-40-6
SMILES
CCOC(=O)C1=CC=CO1
InChIKey
NHXSTXWKZVAVOQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H8O3/c1-2-9-7(8)6-4-3-5-10-6/h3-5H,2H2,1H3

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Names and synonyms

3 names
  • Ethyl furoate
  • Furancarboxylic acid, ethyl ester
  • Furoic acid, ethyl ester

Work with Ethyl 2-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethyl 2-furoate614-99-3100 % similar Methyl 2-furoate611-13-261 % similar Diethyl phthalate84-66-259 % similar Ethyl oxazole-5-carboxylate118994-89-154 % similar Diethyl terephthalate636-09-953 % similar Ethyl benzoate93-89-053 % similar 1,3-Diethyl 1,3-benzenedicarboxylate636-53-351 % similar Ethyl 2-bromobenzoate6091-64-151 % similar

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

Same formula

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 Methyl 3-methyl-2-furancarboxylate6141-57-7

Elsewhere

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