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CHEBI:20415 - 4-hydroxymethylsalicylic acid

ChEBI IDCHEBI:20415
ChEBI Name4-hydroxymethylsalicylic acid
Stars
DefinitionA monohydroxybenzoic acid consisting of salicylic acid having a hydroxymethyl group at the 4-position.
Last Modified7 January 2014
DownloadsMolfile
FormulaC8H8O4
Net Charge0
Average Mass168.148
Monoisotopic Mass168.04226
SMILESO=C(O)c1ccc(CO)cc1O
InChIInChI=1S/C8H8O4/c9-4-5-1-2-6(8(11)12)7(10)3-5/h1-3,9-10H,4H2,(H,11,12)
InChIKeyDSQWHAJLUOQMFI-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-hydroxymethylsalicylic acid (CHEBI:20415) has functional parent salicylic acid (CHEBI:16914)
4-hydroxymethylsalicylic acid (CHEBI:20415) is a monohydroxybenzoic acid (CHEBI:25389)
IUPAC Name 
2-hydroxy-4-(hydroxymethyl)benzoic acid
Synonyms  Source
2-Hydroxy-4-hydroxymethylbenzoic acidKEGG COMPOUND
4-hydroxymethyl-2-hydroxybenzoic acidChEBI
Manual XrefsDatabases
C14109KEGG COMPOUND
Registry NumbersSources
Reaxys:15728199Reaxys
CAS:106420-93-3KEGG COMPOUND