BMRB

Biological Magnetic Resonance Data Bank


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

Guaiacol

Graphical representations:

Guaiacol image

Molecular Formula: C7 H8 O2

Natural Isotopic Abundance Mass: 124.13722

Mono-Isotopic Molecular Masses:

  • C12N14: 124.052429501
  • C13N14: 131.0759133656
  • C12N15: 124.052429501
  • C13N15: 131.0759133656

InCHi String:

canonical and isomeric SMILES: COC1=CC=CC=C1O

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
2-methoxyphenol

PubChem Substance (SID):   85165225   38468729   17396564
PubChem Compound (CID):   460
KEGG: Compound ID   D00117
CAS Registry IDs:   26638-03-9   90-05-1
PDB Chemical Component   JZ3
Miscellaneous Databases and IDs:   Sigma-Aldrich G5502_SIGMA   ChEBI CHEBI:28591   BioCyc CPD-400   ChemIDplus 026638039   ChemSpider 11337764   NMRShiftDB 20035577   CambridgeSoft Corporation 4181   EPA DSSTox 13809   ZINC ZINC00001521   ChemDB 3966822   NCGC NCGC00090827-02   NIST Chemistry WebBook 198950809

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.