CHEBI:81684 - 5-Carboxyvanillic acid

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ChEBI Name 5-Carboxyvanillic acid ChEBI ID CHEBI:81684 Stars This entity has been manually annotated by a third party. 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 C9H8O6 Net Charge 0 Average Mass 212.15620 Monoisotopic Mass 212.03209 InChI InChI=1S/C9H8O6/c1-15-6-3-4(8(11)12)2-5(7(6)10)9(13)14/h2-3,10H,1H3,(H,11,12)(H,13,14) InChIKey NLSSJYQPZIQJNC-UHFFFAOYSA-N SMILES COc1cc(cc(C(O)=O)c1O)C(O)=O 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 5-Carboxyvanillic acid (CHEBI:81684) is a 2-hydroxyisophthalic acid (CHEBI:19643) Synonyms Sources 4-Hydroxy-5-methoxy-1,3-benzenedicarboxylate KEGG COMPOUND 4-Hydroxy-5-methoxyisophthalate KEGG COMPOUND 5-Carboxyvanillate KEGG COMPOUND Manual Xref Database C18338 KEGG COMPOUND View more database links Registry Number Type Source 2134-91-0 CAS Registry Number KEGG COMPOUND