Record Information
Version1.0
Creation date2015-10-09 22:32:02 UTC
Update date2017-01-19 02:36:33 UTC
FoodComEx IDPC000703
FoodDB RecordFDB022977
Chemical Information
NamePhenylpropiolic acid
DescriptionPhenylpropiolic acid is one of a number of phenylpropanoid, natural products occurring in plants pathways involved in plant resistance providing building units of physical barriers against pathogen invasion, synthesizing an array of antibiotic compounds, and producing signals implicated in the mounting of plant resistance. (PMID 15199968) Phenylpropiolic acid is a cis-pyrrolidinone that has been tested as an inhibitors of type II 17beta-hydroxysteroid dehydrogenase for the treatment of osteoporosis. (PMID 16806919) [HMDB]
CAS Number637-44-5
Structure
Thumb
Synonyms
SynonymSource
3-Phenyl-2-propynoatehmdb
3-Phenyl-2-propynoic acidhmdb
3-phenyl-propiolatehmdb
3-phenyl-propiolic acidhmdb
3-Phenylpropiolatehmdb
3-Phenylpropiolic acidhmdb
3-Phenylpropynoatehmdb
3-Phenylpropynoic acidhmdb
b-phenylpropargylatehmdb
b-phenylpropargylic acidhmdb
beta-phenylpropargylatehmdb
beta-phenylpropargylic acidhmdb
phenyl-(8CI)propiolatehmdb
phenyl-(8CI)propiolic acidhmdb
phenyl-propiolatehmdb
phenyl-propiolic acidhmdb
Phenylacetylene monocarboxylatehmdb
Phenylacetylene monocarboxylic acidhmdb
Phenylacetylenecarboxylatehmdb
Phenylacetylenecarboxylic acidhmdb
Phenylpropiolatehmdb
Phenylpropioplatehmdb
Phenylpropioplic acidhmdb
Phenylpropynoatehmdb
Phenylpropynoic acidhmdb
Chemical FormulaC9H6O2
IUPAC name3-phenylprop-2-ynoic acid
InChI IdentifierInChI=1S/C9H6O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,(H,10,11)
InChI KeyXNERWVPQCYSMLC-UHFFFAOYSA-N
Isomeric SMILESOC(=O)C#CC1=CC=CC=C1
Average Molecular Weight146.1427
Monoisotopic Molecular Weight146.036779436
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 Z4982
Toronto Research Chemicals P336305