(4-hydroxy-3-nitrophenyl)acetic acid (CHEBI:546274)

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ChEBI Name	(4-hydroxy-3-nitrophenyl)acetic acid

ChEBI ID	CHEBI:546274

Definition	A monocarboxylic acid that is acetic acid carrying a 2-hydroxy-3-nitrophenyl substituent at C-2.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:44475

Supplier Information

Download	Molfile XML SDF

Formula

C8H7NO5

Net Charge

Average Mass

197.14490

Monoisotopic Mass

197.03242

InChI

InChI=1S/C8H7NO5/c10-7-2-1-5(4-8(11)12)3-6(7)9(13)14/h1-3,10H,4H2,(H,11,12)

InChIKey

QBHBHOSRLDPIHG-UHFFFAOYSA-N

SMILES

OC(=O)Cc1ccc(O)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 )

Biological Role(s):	hapten Any substance capable of eliciting an immune response only when attached to a large carrier such as a protein. Examples include dinitrophenols; oligosaccharides; peptides; and heavy metals.

ChEBI Ontology
Outgoing	(4-hydroxy-3-nitrophenyl)acetic acid (CHEBI:546274) has role hapten (CHEBI:59174) (4-hydroxy-3-nitrophenyl)acetic acid (CHEBI:546274) is a monocarboxylic acid (CHEBI:25384) (4-hydroxy-3-nitrophenyl)acetic acid (CHEBI:546274) is conjugate acid of (4-hydroxy-3-nitrophenyl)acetate (CHEBI:53794)

Incoming	1-((4-hydroxy-3-nitrophenyl)acetoxy)pyrrolidine-2,5-dione (CHEBI:55341) has functional parent (4-hydroxy-3-nitrophenyl)acetic acid (CHEBI:546274) (4-hydroxy-3-nitrophenyl)acetate (CHEBI:53794) is conjugate base of (4-hydroxy-3-nitrophenyl)acetic acid (CHEBI:546274) (4-hydroxy-3-nitrophenyl)acetyl group (CHEBI:53793) is substituent group from (4-hydroxy-3-nitrophenyl)acetic acid (CHEBI:546274)

IUPAC Name

(4-hydroxy-3-nitrophenyl)acetic acid

Synonyms	Sources
2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID	PDBeChem
2-(4-hydroxy-3-nitrophenyl)acetic acid	ChEMBL
4-hydroxy-3-nitrophenylacetic acid	ChEBI
NO2HPA	ChEBI

Registry Number	Type	Source
2696044	Reaxys Registry Number	Reaxys

Last Modified

15 April 2014