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

Hazards

Warning
Irritant (GHS07)

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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 Coumalic acid500-05-052 % similar Tetrakis(4-carboxyphenyl)ethylene1351279-73-648 % similar [P-Terphenyl]-4,4''-dicarboxylic acid13653-84-448 % 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

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Itaconic anhydride2170-03-8 3-Hydroxy-4-pyrone496-63-9 3-Oxabicyclo(3.1.0)hexane-2,4-dione5617-74-3 Citraconic anhydrides616-02-4 2-Furoic acid88-14-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook