1,4-dihydroxy-2-naphthanoic Acid

1,4-dihydroxy-2-naphthanoic Acid bmse000688 - Data

1_4_dihydroxy_2_naphthoic_acid synonyms

1,4-Dihydroxy-2-naphthalenecarboxylic acid; 1,4-Dihydroxy-2-naphthoate; 1,4-Dihydroxy-2-naphthoic acid; 1,4-dihydroxynaphthalene-2-carboxylic acid; 2-Naphthalenecarboxylic acid, 1,4-dihydroxy-

Wikipedia:

Graphical representations:

1_4_dihydroxy_2_naphthoic_acid

View large 3D structure

Molecular Formula: C11H8O4

Natural Isotopic Abundance Mass: 204.17882

Mono-Isotopic Molecular Masses:

  • C12N14: 204.0422587452
  • C13N14: 215.079161961
  • C12N15: 204.0422587452
  • C13N15: 215.079161961

InChI string: InChI=1S/C11H8O4/c12-9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9/h1-5,12-13H,(H,14,15)

CAS Registry number: 31519-22-9
ChEBI: CHEBI:18094
ChemDB: 4562741
EPA DSSTox: 37784
KEGG Compound ID: C03657
MDL: MFCD00010370
MMCD: cq_02168
NIST: 501546681
PDB Compound ID: DNA
PubChem Compound (CID): 671
Sigma-Aldrich: 281255_ALDRICH

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)