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CHEBI:90321 - 3-(p-nitrophenyl)propanoic acid

ChEBI IDCHEBI:90321
ChEBI Name3-(p-nitrophenyl)propanoic acid
Stars
ASCII Name3-(p-nitrophenyl)propanoic acid
DefinitionA monocarboxylic acid that is 3-phenylpropionic acid in which the hydrogen at the para position of the phennyl group has been replaced by a nitro group.
Last Modified11 November 2015
SubmitterGareth Owen
DownloadsMolfile
FormulaC9H9NO4
Net Charge0
Average Mass195.174
Monoisotopic Mass195.05316
SMILESO=C(O)CCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H9NO4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-2,4-5H,3,6H2,(H,11,12)
InChIKeyVZOPVJNBOQOLPN-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Application:
chromogenic compound  Colourless, endogenous or exogenous pigment precursors that may be transformed by biological mechanisms into coloured compounds. They are used in biochemical assays and in diagnosis as indicators, particularly in the form of enzyme substrates.
ChEBI Ontology
Outgoing Relation(s)
3-(p-nitrophenyl)propanoic acid (CHEBI:90321) has functional parent 3-phenylpropionic acid (CHEBI:28631)
3-(p-nitrophenyl)propanoic acid (CHEBI:90321) has role chromogenic compound (CHEBI:75050)
3-(p-nitrophenyl)propanoic acid (CHEBI:90321) is a C-nitro compound (CHEBI:35716)
3-(p-nitrophenyl)propanoic acid (CHEBI:90321) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name 
3-(4-nitrophenyl)propanoic acid
Synonyms  Source
β-(4-nitrophenyl)propionic acidChEBI
3-(4-nitrophenyl)propionic acidChEBI
3-(p-nitrophenyl)propionic acidChEBI
β-(p-nitrophenyl)propionic acidChEBI
β-(p-nitrophenyl)propanoic acidChEBI
β-(4-nitrophenyl)propanoic acidChEBI
Registry NumbersSources
CAS:16642-79-8ChemIDplus