MetaCyc Compound: 2-nitrophenol

Synonyms: o-nitrophenol

Superclasses: a nitrohydrocarbona C-nitro compound
an aromatic compound

Chemical Formula: C6H4NO3

Molecular Weight: 138.1 Daltons

Monoisotopic Molecular Weight: 140.0347680641 Daltons

2-nitrophenol compound structure

SMILES: C1(C=CC(=C(C=1)[N+](=O)[O-])[O-])

InChI: InChI=1S/C6H5NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H/p-1


Unification Links: CAS:88-75-5, ChEBI:57703, ChemSpider:3402212, KEGG:C01988, PubChem:4191617

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): -24.007578Inferred by computational analysis [Latendresse13]

Reactions known to consume the compound:

2-nitrophenol degradation :
2-nitrophenol + 2 NADPH + oxygen + 2 H+ → catechol + nitrite + 2 NADP+ + H2O


Latendresse13: Latendresse M. (2013). "Computing Gibbs Free Energy of Compounds and Reactions in MetaCyc."

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Please cite the following article in publications resulting from the use of MetaCyc: Caspi et al, Nucleic Acids Research 42:D459-D471 2014
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