CHEBI:20415 - 4-hydroxymethylsalicylic acid

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ChEBI Name 4-hydroxymethylsalicylic acid ChEBI ID CHEBI:20415 Definition A monohydroxybenzoic acid consisting of salicylic acid having a hydroxymethyl group at the 4-position. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C8H8O4 Net Charge 0 Average Mass 168.14670 Monoisotopic Mass 168.04226 InChI InChI=1S/C8H8O4/c9-4-5-1-2-6(8(11)12)7(10)3-5/h1-3,9-10H,4H2,(H,11,12) InChIKey DSQWHAJLUOQMFI-UHFFFAOYSA-N SMILES OCc1ccc(C(O)=O)c(O)c1 Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing 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 Sources 2-Hydroxy-4-hydroxymethylbenzoic acid KEGG COMPOUND 4-hydroxymethyl-2-hydroxybenzoic acid ChEBI Manual Xref Database C14109 KEGG COMPOUND View more database links Registry Numbers Types Sources 106420-93-3 CAS Registry Number KEGG COMPOUND 15728199 Reaxys Registry Number Reaxys Last Modified 07 January 2014