Biological Magnetic Resonance Data BankA Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules |
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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-
Molecular Formula: C11H8O4
Natural Isotopic Abundance Mass: 204.17882
Mono-Isotopic Molecular Masses:
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: 31519-22-9Reference 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)