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CHEBI:46171 - 4-acetamidobenzoic acid

ChEBI IDCHEBI:46171
ChEBI Name4-acetamidobenzoic acid
Stars
DefinitionA amidobenzoic acid that consists of benzoic acid bearing an acetamido substituent at position 4.
Last Modified6 February 2012
DownloadsMolfile
FormulaC9H9NO3
Net Charge0
Average Mass179.175
Monoisotopic Mass179.05824
SMILESCC(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C9H9NO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)
InChIKeyQCXJEYYXVJIFCE-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-acetamidobenzoic acid (CHEBI:46171) has functional parent 4-aminobenzoic acid (CHEBI:30753)
4-acetamidobenzoic acid (CHEBI:46171) is a amidobenzoic acid (CHEBI:48470)
4-acetamidobenzoic acid (CHEBI:46171) is conjugate acid of 4-acetamidobenzoate (CHEBI:63815)
Incoming Relation(s)
4-acetamidobenzoate (CHEBI:63815) is conjugate base of 4-acetamidobenzoic acid (CHEBI:46171)
IUPAC Name 
4-acetamidobenzoic acid
INNs  Source
acedobenDrugBank
acedobeneDrugBank
acedobenumDrugBank
Synonyms  Source
PARA ACETAMIDO BENZOIC ACIDPDBeChem
4-(Acetylamino)benzoic acidDrugBank
N-Acetyl-PABADrugBank
p-Acetamidobenzoic acidDrugBank
4-CarboxyacetanilideDrugBank
N-Acetyl-p-aminobenzoic acidDrugBank
Manual XrefsDatabases
TYZPDBeChem
DB04500DrugBank
Registry NumbersSources
Reaxys:390602Reaxys
CAS:556-08-1ChemIDplus
CAS:556-08-1NIST Chemistry WebBook
Citations