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CHEBI:20367 - 4-formylsalicylic acid

ChEBI IDCHEBI:20367
ChEBI Name4-formylsalicylic acid
Stars
DefinitionA hydroxybenzoic acid that is salicylic acid in which the hydrogen at position 4 is substituted by a formyl group.
Secondary ChEBI IDCHEBI:34404
Last Modified23 March 2011
DownloadsMolfile
FormulaC8H6O4
Net Charge0
Average Mass166.132
Monoisotopic Mass166.02661
SMILESO=Cc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C8H6O4/c9-4-5-1-2-6(8(11)12)7(10)3-5/h1-4,10H,(H,11,12)
InChIKeyJQSSYLDZHAPSJO-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)
4-formylsalicylic acid (CHEBI:20367) has functional parent salicylic acid (CHEBI:16914)
4-formylsalicylic acid (CHEBI:20367) is a aldehyde (CHEBI:17478)
4-formylsalicylic acid (CHEBI:20367) is a monohydroxybenzoic acid (CHEBI:25389)
4-formylsalicylic acid (CHEBI:20367) is a phenols (CHEBI:33853)
IUPAC Name 
4-formyl-2-hydroxybenzoic acid
Synonyms  Source
4-Formylsalicylic acidKEGG COMPOUND
4-Formyl-2-hydroxybenzoic acidKEGG COMPOUND
4-carboxy-3-hydroxybenzaldehydeChEBI
Manual XrefsDatabases
c0703UM-BBD
C14100KEGG COMPOUND
Registry NumbersSources
Reaxys:1102566Reaxys
CAS:51572-88-4KEGG COMPOUND