3-Hydroxyanthranilic Acid

3-Hydroxyanthranilic Acid bmse000321 - Data

3-Hydroxyanthranilic synonyms

2-AMINO-3-HYDROXY-BENZOIC ACID; 3-Hydroxy-anthranilsaeure; Anthranilic acid, 3-hydroxy-; 3-Hydroxyanthranilate; 2-Amino-3-hydroxybenzoic acid; Benzoic acid, 2-amino-3-hydroxy-; benzoic acid, 2-amino-3-hydroxy-; 2-amino-3-hydroxybenzoic acid; 2-Amino-3-hydroxy-benzoic acid; 3-Hydroxy-anthranilsaeure [German]; 3-Oxyanthranilic acid

Wikipedia:

Graphical representations:

3-Hydroxyanthranilic

View large 3D structure

Molecular Formula: C7H7NO3

Natural Isotopic Abundance Mass: 153.13538

Mono-Isotopic Molecular Masses:

  • C12N14: 153.0425930962
  • C13N14: 160.0660769608
  • C12N15: 154.0396279894
  • C13N15: 161.063111854

InChI string: InChI=1S/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,8H2,(H,10,11)

PubChem Compound (CID): 86
CAS Registry number: 548-93-6
Thomson Pharma: 00068118
CCRIS: 4427
ChemIDplus: 000548936
ChEBI: CHEBI:15793
Shanghai Institute of Organic Chemistry: 1u1w
ChemSpider: 13858172
NIST: 4052159813
EINECS: 208-962-5
KEGG Compound ID: C00632
DTP/NCI: 522891
HSDB: 4040
NMRShiftDB: 20037773
Sigma-Aldrich: H9391_SIGMA
Beilstein Handbook Reference: 4-14-00-02071
ChemDB: 6680986
PDB Compound ID: 3HA

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)