EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:71235 - 4-hydroxy-3-nitrophenylacetaldehyde

ChEBI IDCHEBI:71235
ChEBI Name4-hydroxy-3-nitrophenylacetaldehyde
Stars
DefinitionA C-nitro compound that is phenylacetaldehyde substituted at positions 3 and 4 by nitro and hydroxy groups respectively.
Last Modified21 October 2015
SubmitterMaria Jose
DownloadsMolfile
FormulaC8H7NO4
Net Charge0
Average Mass181.147
Monoisotopic Mass181.03751
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
InChIKeyOXYOFULKSNCNRY-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-hydroxy-3-nitrophenylacetaldehyde (CHEBI:71235) is a 2-nitrophenols (CHEBI:86421)
4-hydroxy-3-nitrophenylacetaldehyde (CHEBI:71235) is a phenylacetaldehydes (CHEBI:25973)
4-hydroxy-3-nitrophenylacetaldehyde (CHEBI:71235) is conjugate acid of 4-hydroxy-3-nitrophenylacetaldehyde(1−) (CHEBI:71287)
Incoming Relation(s)
4-hydroxy-3-nitrophenylacetaldehyde(1−) (CHEBI:71287) is conjugate base of 4-hydroxy-3-nitrophenylacetaldehyde (CHEBI:71235)
IUPAC Name 
(4-hydroxy-3-nitrophenyl)acetaldehyde
Synonym  Source
2-(4-hydroxy-3-nitrophenyl)acetaldehydeSUBMITTER
Registry NumbersSources
Reaxys:10153797Reaxys
Citations