Record Information
Version1.0
Creation date2015-10-09 22:33:28 UTC
Update date2017-01-19 02:36:41 UTC
FoodComEx IDPC000933
FoodDB RecordFDB028423
Chemical Information
Name3-Methoxybenzenepropanoic acid
Description3-Methoxybenzenepropanoic acid is a naturally occurring human metabolite, It is an organic acid and excreted in human urine (PMID: 8087979) [HMDB]
CAS Number10516-71-9
Structure
Thumb
Synonyms
SynonymSource
3-(3-Methoxyphenyl)propanoatehmdb
3-(3-Methoxyphenyl)propanoic acidhmdb
3-(3-Methoxyphenyl)propionatehmdb
3-(3-Methoxyphenyl)propionic acidhmdb
3-(m-Methoxyphenyl)propionatehmdb
3-(m-Methoxyphenyl)propionic acidhmdb
3-Methoxybenzenepropanoatehmdb
3-Methoxybenzenepropanoic acidhmdb
3-Methoxybenzenepropionatehmdb
3-Methoxybenzenepropionic acidhmdb
3-Methoxydihydrocinnamatehmdb
3-Methoxydihydrocinnamic acidhmdb
m-Methoxyhydrocinnamatehmdb
m-Methoxyhydrocinnamic acidhmdb
Chemical FormulaC10H12O3
IUPAC name3-(3-methoxyphenyl)propanoic acid
InChI IdentifierInChI=1S/C10H12O3/c1-13-9-4-2-3-8(7-9)5-6-10(11)12/h2-4,7H,5-6H2,1H3,(H,11,12)
InChI KeyBJJQJLOZWBZEGA-UHFFFAOYSA-N
Isomeric SMILESCOC1=CC=CC(CCC(O)=O)=C1
Average Molecular Weight180.2005
Monoisotopic Molecular Weight180.07864425
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 F254
MetaSci HMDB0011751
Sigma-Aldrich HMDB0011751
Toronto Research Chemicals M329433