Record Information
Version1.0
Creation date2015-10-09 22:30:22 UTC
Update date2017-01-19 02:36:21 UTC
FoodComEx IDPC000381
FoodDB RecordFDB022049
Chemical Information
Name3-Furoic acid
Description3-Furoic acid is an organic acid regularly occurring in urine of healthy individuals. (PMID 2338430). 3-Furoic acid is also a compound found in honey and honeydew samples (PMID 11403496), and is a structural analog of nicotinic acid (niacin, a vitamin of the B complex). (PMID 12563315) [HMDB]
CAS Number488-93-7
Structure
Thumb
Synonyms
SynonymSource
3-Carboxyfuranhmdb
3-FurancarboxylateGenerator
3-Furancarboxylic acidChEBI
3-Furanoatehmdb
3-Furanoic acidhmdb
3-Furoatehmdb
3-Furoic acidhmdb
Chemical FormulaC5H4O3
IUPAC namefuran-3-carboxylic acid
InChI IdentifierInChI=1S/C5H4O3/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7)
InChI KeyIHCCAYCGZOLTEU-UHFFFAOYSA-N
Isomeric SMILESOC(=O)C1=COC=C1
Average Molecular Weight112.0835
Monoisotopic Molecular Weight112.016043994
Chemical Taxonomy
ClassificationNot classified
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointNot Available
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, up to 1 g
Delivery TimeNot Available
Storage Formsolid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez Fresnovazquezf@ualberta.ca
Commercial Vendors
AKSci U453
MetaSci HMDB0000444
Sigma-Aldrich HMDB0000444
Toronto Research Chemicals F863770