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

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ChEBI Name 3-(p-nitrophenyl)propanoic acid
ChEBI ID CHEBI:90321
ChEBI ASCII Name 3-(p-nitrophenyl)propanoic acid
Definition A monocarboxylic acid that is 3-phenylpropionic acid in which the hydrogen at the para position of the phennyl group has been replaced by a nitro group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C9H9NO4
Net Charge 0
Average Mass 195.172
Monoisotopic Mass 195.05316
InChI InChI=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)
InChIKey VZOPVJNBOQOLPN-UHFFFAOYSA-N
SMILES C(=O)(O)CCC1=CC=C(C=C1)[N+]([O-])=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Application(s): 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.
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ChEBI Ontology
Outgoing 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 Sources
3-(4-nitrophenyl)propionic acid ChEBI
3-(p-nitrophenyl)propionic acid ChEBI
β-(4-nitrophenyl)propanoic acid ChEBI
β-(4-nitrophenyl)propionic acid ChEBI
β-(p-nitrophenyl)propanoic acid ChEBI
β-(p-nitrophenyl)propionic acid ChEBI
Registry Number Type Source
16642-79-8 CAS Registry Number ChemIDplus
Last Modified
11 November 2015