BMRB

Biological Magnetic Resonance Data Bank


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

Resorcinol

Resorcinol bmse000415 - Data

Resorcinol synonyms

Resorzin; 3-Hydroxycyclohexadien-1-one; Resorcin (JAN); Resorcine; benzene-1,3-diol; Fourrine EW; Resorcin; RESORCINOL; Phenol, m-hydroxy-; RCO; Pelagol Grey RS

Wikipedia:

Graphical representations:

Resorcinol image

Molecular Formula: C6 H6 O2

Natural Isotopic Abundance Mass: 110.11064

Mono-Isotopic Molecular Masses:

  • C12N14: 110.0367794368
  • C13N14: 116.0569084636
  • C12N15: 110.0367794368
  • C13N15: 116.0569084636

InCHi String: InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H

canonical and isomeric SMILES: C1=CC(=CC(=C1)O)O

PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
benzene-1,3-diol

PUBCHEM iupac TRADITIONAL NAME
resorcinol

PubChem Substance (SID):   85165207   24899381   8144451
PubChem Compound (CID):   5054
KEGG: Compound ID   D00133
CAS Registry IDs:   26982-54-7   6025-45-2   108-46-3
PDB Chemical Component   RCO
Miscellaneous Databases and IDs:   Sigma-Aldrich R5645_SIAL   ChEBI CHEBI:27810   ChemBank SPBio_001379   HSDB 722   ChemIDplus 026982547   Caswell No. 723   ChemSpider 16285695   MMDB 61021.13   EINECS 203-585-2   CCRIS 4052   NMRShiftDB 10006033   EPA Pesticide Chemical Code 071401   CambridgeSoft Corporation 8356   EPA DSSTox 1238   ZINC ZINC00002028   UM-BBD c0265   Beilstein Handbook Reference 4-06-00-05658   ChemDB 3968393   NIST Chemistry WebBook 2086153744

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.