chempirical

2-Furanpropanoic acid

C7H8O3CAS 935-13-7140.14 g/mol

Open in Covalent MOL file
OHOO
Carboxylic acid

Properties

Molecular formula
C7H8O3
Molar mass
140.14 g/mol
Exact mass
140.0473 Da
Melting point
58 °C
Boiling point
229 °C
logP
1.30Crippen estimate
Polar surface area
50.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Identifiers

CAS number
935-13-7
SMILES
O=C(O)CCc1ccco1
InChIKey
XLTJXJJMUFDQEZ-UHFFFAOYSA-N
InChI
InChI=1S/C7H8O3/c8-7(9)4-3-6-2-1-5-10-6/h1-2,5H,3-4H2,(H,8,9)

Weigh it out

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

Names and synonyms

6 names
  • 2-Furanpropionic acid
  • β-(2-Furyl)propionic acid
  • 3-(2-Furyl)propanoic acid
  • 3-Furan-2-ylpropionic acid
  • 3-(2-Furyl)propionic acid
  • 3-(Furan-2-yl)propanoic acid

Work with 2-Furanpropanoic acid

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

(βS)-β-Amino-2-furanbutanoic acid270263-05-355 % similar 1,4-Benzenedipropanoic acid4251-21-253 % similar Ethyl 2-furanpropanoate10031-90-051 % similar Melilotic acid495-78-346 % similar Benzenepentanoic acid2270-20-446 % similar Phloretic acid501-97-346 % similar 2-Propylfuran4229-91-845 % similar D-2-Furylalanine110772-46-845 % 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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