4-Nitrocatechol

4-Nitrocatechol bmse000265 - Data bmst000211 - Theory

4_Nitrocatechol synonyms

NSC 80651; 4-NITROPYROCATECHOL

Wikipedia:

Graphical representations:

4_Nitrocatechol

View large 3D structure

Molecular Formula: C6H5NO4

Natural Isotopic Abundance Mass: 155.1082000000

Mono-Isotopic Molecular Masses:

  • C12N14: 155.021857654
  • C13N14: 161.041986681
  • C12N15: 156.018892547
  • C13N15: 161.041986681

InChI string: InChI=1/C6H5NO4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H

IUPAC: 4-nitrobenzene-1,2-diol

PubChem Compound (CID): 1751
KEGG Compound ID: C02235
ChemIDplus: 003316094
CAS Registry number: 3316-09-4
EINECS: 222-009-0

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)