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CHEBI:34334 - 3-formylsalicylic acid

ChEBI IDCHEBI:34334
ChEBI Name3-formylsalicylic acid
Stars
DefinitionA hydroxybenzoic acid that is salicylic acid in which the hydrogen at position 3 is substituted by a formyl group.
Secondary ChEBI IDCHEBI:20023
Last Modified8 June 2017
DownloadsMolfile
FormulaC8H6O4
Net Charge0
Average Mass166.132
Monoisotopic Mass166.02661
SMILESO=Cc1cccc(C(=O)O)c1O
InChIInChI=1S/C8H6O4/c9-4-5-2-1-3-6(7(5)10)8(11)12/h1-4,10H,(H,11,12)
InChIKeyYOEUNKPREOJHBW-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-formylsalicylic acid (CHEBI:34334) has functional parent salicylic acid (CHEBI:16914)
3-formylsalicylic acid (CHEBI:34334) is a aldehyde (CHEBI:17478)
3-formylsalicylic acid (CHEBI:34334) is a monohydroxybenzoic acid (CHEBI:25389)
3-formylsalicylic acid (CHEBI:34334) is a phenols (CHEBI:33853)
IUPAC Name 
3-formyl-2-hydroxybenzoic acid
Synonyms  Source
3-Formylsalicylic acidKEGG COMPOUND
2-Hydroxyisophthalaldehydic acidKEGG COMPOUND
3-carboxy-2-hydroxybenzaldehydeChEBI
2-hydroxy-3-formylbenzoic acidChEBI
Manual XrefsDatabases
c0728UM-BBD
C14096KEGG COMPOUND
Registry NumbersSources
Reaxys:1102567Reaxys
CAS:610-04-8KEGG COMPOUND
Citations