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CHEBI:30802 - isophthalic acid

ChEBI IDCHEBI:30802
ChEBI Nameisophthalic acid
Stars
DefinitionA benzenedicarboxylic acid that is benzene substituted by carboxy groups at position 1 and 3. One of three possible isomers of benzenedicarboxylic acid, the others being phthalic and terephthalic acids.
Last Modified21 May 2014
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC8H6O4
Net Charge0
Average Mass166.132
Monoisotopic Mass166.02661
SMILESO=C(O)c1cccc(C(=O)O)c1
InChIInChI=1S/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12)
InChIKeyQQVIHTHCMHWDBS-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
isophthalic acid (CHEBI:30802) is a benzenedicarboxylic acid (CHEBI:26094)
isophthalic acid (CHEBI:30802) is conjugate acid of isophthalate(1−) (CHEBI:30804)
Incoming Relation(s)
2-hydroxyisophthalic acid (CHEBI:19643) has functional parent isophthalic acid (CHEBI:30802)
isophthalamide (CHEBI:38801) has functional parent isophthalic acid (CHEBI:30802)
isophthalonitrile (CHEBI:38218) has functional parent isophthalic acid (CHEBI:30802)
isophthalate(1−) (CHEBI:30804) is conjugate base of isophthalic acid (CHEBI:30802)
IUPAC Name 
benzene-1,3-dicarboxylic acid
Synonyms  Source
m-benzenedicarboxylic acidNIST Chemistry WebBook
IPANIST Chemistry WebBook
meta-benzenedicarboxylic acidChEBI
Manual XrefsDatabases
CPD0-1267MetaCyc
Isophthalic_acidWikipedia
Registry NumbersSources
Gmelin:27618Gmelin
Reaxys:1909332Reaxys
CAS:121-91-5ChemIDplus
CAS:121-91-5NIST Chemistry WebBook
Citations