CHEBI:71235 - 4-hydroxy-3-nitrophenylacetaldehyde

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-hydroxy-3-nitrophenylacetaldehyde
ChEBI ID CHEBI:71235
Definition A C-nitro compound that is phenylacetaldehyde substituted at positions 3 and 4 by nitro and hydroxy groups respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Maria Jose
Supplier Information We are unable to retrieve the vendor information for this entry at this time. Please try again later.
Download Molfile XML SDF
Formula C8H7NO4
Net Charge 0
Average Mass 181.14550
Monoisotopic Mass 181.03751
InChI InChI=1S/C8H7NO4/c10-4-3-6-1-2-8(11)7(5-6)9(12)13/h1-2,4-5,11H,3H2
InChIKey OXYOFULKSNCNRY-UHFFFAOYSA-N
SMILES [H]C(=O)Cc1ccc(O)c(c1)[N+]([O-])=O
ChEBI Ontology
Outgoing 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 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)acetaldehyde SUBMITTER
Registry Number Type Source
10153797 Reaxys Registry Number Reaxys
Citation Type Source
18658270 PubMed citation SUBMITTER
Last Modified
21 October 2015