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CHEBI:71287 - 4-hydroxy-3-nitrophenylacetaldehyde(1−)

ChEBI IDCHEBI:71287
ChEBI Name4-hydroxy-3-nitrophenylacetaldehyde(1−)
Stars
ASCII Name4-hydroxy-3-nitrophenylacetaldehyde(1-)
DefinitionA phenolate anion that is the conjugate base of 4-hydroxy-3-nitrophenylacetaldehyde; major species at pH 7.3
Last Modified24 November 2014
SubmitterMaria Jose
DownloadsMolfile
FormulaC8H6NO4
Net Charge-1
Average Mass180.139
Monoisotopic Mass180.03023
SMILES[H]C(=O)Cc1ccc([O-])c([N+](=O)[O-])c1
InChIInChI=1S/C8H7NO4/c10-4-3-6-1-2-8(11)7(5-6)9(12)13/h1-2,4-5,11H,3H2/p-1
InChIKeyOXYOFULKSNCNRY-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
4-hydroxy-3-nitrophenylacetaldehyde(1−) (CHEBI:71287) is a phenolate anion (CHEBI:50525)
4-hydroxy-3-nitrophenylacetaldehyde(1−) (CHEBI:71287) is conjugate base of 4-hydroxy-3-nitrophenylacetaldehyde (CHEBI:71235)
Incoming Relation(s)
4-hydroxy-3-nitrophenylacetaldehyde (CHEBI:71235) is conjugate acid of 4-hydroxy-3-nitrophenylacetaldehyde(1−) (CHEBI:71287)
IUPAC Name 
2-nitro-4-(2-oxoethyl)phenolate
Synonym  Source
2-(4-hydroxy-3-nitrophenyl)acetaldehydeSUBMITTER
UniProt Name  Source
4-hydroxy-3-nitrophenylacetaldehydeUniProt
Citations