EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:63816 - 4-acetamidosalicylic acid

ChEBI IDCHEBI:63816
ChEBI Name4-acetamidosalicylic acid
Stars
DefinitionA amidobenzoic acid that consists of salicylic acid bearing an acetamido substituent at position 4.
Last Modified6 February 2012
SubmitterSteve
DownloadsMolfile
FormulaC9H9NO4
Net Charge0
Average Mass195.174
Monoisotopic Mass195.05316
SMILESCC(=O)Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C9H9NO4/c1-5(11)10-6-2-3-7(9(13)14)8(12)4-6/h2-4,12H,1H3,(H,10,11)(H,13,14)
InChIKeyYBTVSGCNBZPRBD-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-acetamidosalicylic acid (CHEBI:63816) has functional parent salicylic acid (CHEBI:16914)
4-acetamidosalicylic acid (CHEBI:63816) is a amidobenzoic acid (CHEBI:48470)
4-acetamidosalicylic acid (CHEBI:63816) is a monohydroxybenzoic acid (CHEBI:25389)
Incoming Relation(s)
4-acetamidosalicylate (CHEBI:63817) has functional parent 4-acetamidosalicylic acid (CHEBI:63816)
IUPAC Name 
4-acetamido-2-hydroxybenzoic acid
Synonyms  Source
4-(Acetylamino)-2-hydroxybenzoic acidChemIDplus
N-Acetyl-4-aminosalicyclic acidChemIDplus
4-AzetaminosalizylsaeureChemIDplus
Acide 4-acetaminosalicyliqueChemIDplus
N-Acetyl-p-aminosalicylic acidChemIDplus
p-Acetamidosalicylic acidChemIDplus
Registry NumbersSources
Reaxys:395899Reaxys
CAS:50-86-2ChemIDplus