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CHEBI:583580 - 3,4,5-trimethoxydihydrocinnamic acid

ChEBI IDCHEBI:583580
ChEBI Name3,4,5-trimethoxydihydrocinnamic acid
Stars
DefinitionA monocarboxylic acid consisting of propionic acid having a 3,4,5-trimethoxyphenyl substituent at the 3-position.
Last Modified22 December 2015
DownloadsMolfile
FormulaC12H16O5
Net Charge0
Average Mass240.255
Monoisotopic Mass240.09977
SMILESCOc1cc(CCC(=O)O)cc(OC)c1OC
InChIInChI=1S/C12H16O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h6-7H,4-5H2,1-3H3,(H,13,14)
InChIKeyZCYXGVJUZBKJAI-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3,4,5-trimethoxydihydrocinnamic acid (CHEBI:583580) has functional parent propionic acid (CHEBI:30768)
3,4,5-trimethoxydihydrocinnamic acid (CHEBI:583580) is a monocarboxylic acid (CHEBI:25384)
3,4,5-trimethoxydihydrocinnamic acid (CHEBI:583580) is conjugate acid of 3,4,5-trimethoxydihydrocinnamate (CHEBI:58962)
Incoming Relation(s)
3,4,5-trimethoxydihydrocinnamate (CHEBI:58962) is conjugate base of 3,4,5-trimethoxydihydrocinnamic acid (CHEBI:583580)
IUPAC Name 
3-(3,4,5-trimethoxyphenyl)propanoic acid
Synonyms  Source
3-(3,4,5-Trimethoxyphenyl)propanoic acidNIST Chemistry WebBook
3,4,5-Trimethoxyphenylpropionic acidNIST Chemistry WebBook
β-(3,4,5-Trimethoxy phenyl)propionic acidNIST Chemistry WebBook
3-(3',4',5'-trimethoxyphenyl)propionic acidChEBI
Registry NumbersSources
Reaxys:1471912Reaxys
CAS:25173-72-2ChemIDplus
CAS:25173-72-2NIST Chemistry WebBook
Citations