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CHEBI:58992 - 5-(2,3-dimethoxy-4-methylphenyl)pentanoic acid

ChEBI IDCHEBI:58992
ChEBI Name5-(2,3-dimethoxy-4-methylphenyl)pentanoic acid
Stars
DefinitionA monocarboxylic acid consisting of valeric acid having a 2,3-dimethoxy-4-methylphenyl group attached to C-5.
Last Modified21 December 2015
SubmitterSteve
DownloadsMolfile
FormulaC14H20O4
Net Charge0
Average Mass252.310
Monoisotopic Mass252.13616
SMILESCOc1c(C)ccc(CCCCC(=O)O)c1OC
InChIInChI=1S/C14H20O4/c1-10-8-9-11(6-4-5-7-12(15)16)14(18-3)13(10)17-2/h8-9H,4-7H2,1-3H3,(H,15,16)
InChIKeyLLBWHJKXNZPCGO-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)
5-(2,3-dimethoxy-4-methylphenyl)pentanoic acid (CHEBI:58992) has functional parent valeric acid (CHEBI:17418)
5-(2,3-dimethoxy-4-methylphenyl)pentanoic acid (CHEBI:58992) is a monocarboxylic acid (CHEBI:25384)
5-(2,3-dimethoxy-4-methylphenyl)pentanoic acid (CHEBI:58992) is conjugate acid of 5-(2,3-dimethoxy-4-methylphenyl)pentanoate (CHEBI:58993)
Incoming Relation(s)
5-(2,3-dimethoxy-4-methylphenyl)pentanoate (CHEBI:58993) is conjugate base of 5-(2,3-dimethoxy-4-methylphenyl)pentanoic acid (CHEBI:58992)
IUPAC Name 
5-(2,3-dimethoxy-4-methylphenyl)pentanoic acid
Synonym  Source
6-methyl catacidChEBI
Registry NumbersSources
Reaxys:8270029Reaxys
Citations