BMRB

Biological Magnetic Resonance Data Bank


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

9-hydroxyfluorene

9-hydroxyfluorene bmse000564 - Data

9-hydroxyfluorene synonyms

9H-fluoren-9-ol; 9-fluorenol; 9H-Fluoren-9-ol; Diphenylene carbinol; 9-hydroxyfluorene; 9-Hydroxyfluorene; 9-Fluorenol; Fluoren-9-ol

Wikipedia:

Graphical representations:

9-hydroxyfluorene image

View large 3D structure

Molecular Formula: C13 H10 O

Natural Isotopic Abundance Mass: 182.2179

Mono-Isotopic Molecular Masses:

  • C12N14: 182.0731649431
  • C13N14: 195.1167778345
  • C12N15: 182.0731649431
  • C13N15: 195.1167778345

InChI String: InChI=1S/C13H10O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13-14H

canonical and isomeric SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)O

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
9H-fluoren-9-ol

PubChem Substance (SID):   85165344   8143598   8936
PubChem Compound (CID):   74318
KEGG: Compound ID   C06711
CAS Registry IDs:   1689-64-1
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich H31204_ALDRICH   ChEBI CHEBI:16904   ZINC ZINC00968252   ChemSpider 66916   NMRShiftDB 20057356   NIST Chemistry WebBook 920960749   NIST 920960749   MMCD cq_03868   MDL MFCD00001135

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

Atom numbering calculated using ALATIS. Citation: 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