chempirical

3-Furancarboxylic acid

C5H4O3CAS 488-93-7112.08 g/mol

Open in Covalent MOL file
OHOO
Carboxylic acid

Properties

Molecular formula
C5H4O3
Molar mass
112.08 g/mol
Exact mass
112.0160 Da
Melting point
122.5 °C
Boiling point
290 °C
logP
0.98Crippen estimate
Polar surface area
50.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
488-93-7
SMILES
O=C(O)c1ccoc1
InChIKey
IHCCAYCGZOLTEU-UHFFFAOYSA-N
InChI
InChI=1S/C5H4O3/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7)

Weigh it out

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

Names and synonyms

4 names
  • 3-Furoic acid
  • 3-Carboxyfuran
  • 3-Furanoic acid
  • NSC 349941

Work with 3-Furancarboxylic 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

Terephthalic acid100-21-054 % similar Benzoic acid65-85-048 % similar [1,1′-Biphenyl]-4,4′-dicarboxylic acid787-70-248 % similar Trimesic acid554-95-048 % similar Methyl furan-3-carboxylate13129-23-247 % similar Isophthalic acid121-91-546 % similar 2,6-Naphthalenedicarboxylic acid1141-38-445 % similar 4,4′-Oxybis[benzoic acid]2215-89-645 % similar

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

Same formula

Itaconic anhydride2170-03-8 3-Hydroxy-4-pyrone496-63-9 Citraconic anhydride616-02-4 2-Furoic acid88-14-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook