Record Information
Version1.0
Creation date2015-10-09 22:33:23 UTC
Update date2017-01-19 02:36:41 UTC
FoodComEx IDPC000913
FoodDB RecordFDB022785
Chemical Information
Name4-Hydroxycyclohexylcarboxylic acid
DescriptionA rare compound in urinary organic acid analysis [HMDB]
CAS Number17419-81-7
Structure
Thumb
Synonyms
SynonymSource
4-Hydroxycyclohexane-1-carboxylic acidhmdb
4-Hydroxycyclohexanecarboxylic acidhmdb
Chemical FormulaC7H12O3
IUPAC name4-hydroxycyclohexane-1-carboxylic acid
InChI IdentifierInChI=1S/C7H12O3/c8-6-3-1-5(2-4-6)7(9)10/h5-6,8H,1-4H2,(H,9,10)
InChI KeyHCFRWBBJISAZNK-UHFFFAOYSA-N
Isomeric SMILESOC1CCC(CC1)C(O)=O
Average Molecular Weight144.1684
Monoisotopic Molecular Weight144.07864425
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 3 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 9006AA