BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

Cis-1,2-dihydronaphthalene-1,2-diol

Graphical representations:

cis-1,2-dihydronaphthalene-1,2-diol image

Molecular Formula: C10 H10 O2

Natural Isotopic Abundance Mass: 162.1852

Mono-Isotopic Molecular Masses:

  • C12N14: 162.0680795652
  • C13N14: 172.1016279432
  • C12N15: 162.0680795652
  • C13N15: 172.1016279432

InCHi String:

canonical SMILES: C1=CC=C2C(C(C=CC2=C1)O)O

isomeric SMILES: C1=CC=C2[C@H]([C@H](C=CC2=C1)O)O

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
(1R,2S)-1,2-dihydronaphthalene-1,2-diol

PubChem Substance (SID):   111677793   57393801   26697172
PubChem Compound (CID):   440294
KEGG: Compound ID   C04314
CAS Registry IDs:   n/a
PDB Chemical Component   NDH
Miscellaneous Databases and IDs:   Sigma-Aldrich 37342_FLUKA   ChEBI CHEBI:44343   UM-BBD c0334   MMCD cq_02510   MDL MFCD00216514

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.