BMRB

Biological Magnetic Resonance Data Bank


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

o-Cresol

Graphical representations:

o-Cresol image

Molecular Formula: C7 H8 O

Natural Isotopic Abundance Mass: 108.13782

Mono-Isotopic Molecular Masses:

  • C12N14: 108.0575148789
  • C13N14: 115.0809987435
  • C12N15: 108.0575148789
  • C13N15: 115.0809987435

InCHi String: InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3

canonical and isomeric SMILES: CC1=CC=CC=C1O

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

PubChem Substance (SID):   85165222   150287   37911040
PubChem Compound (CID):   335
KEGG: Compound ID   C01542
CAS Registry IDs:   95-48-7   67674-51-5   4549-72-8   3235-09-4
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich 49542_FLUKA   ChEBI CHEBI:28054   HSDB 1813   BioCyc CPD-109   ChemIDplus 000095487   ChemSpider 13882347   EINECS 202-423-8   CCRIS 646   NMRShiftDB 10008598   CambridgeSoft Corporation 1927   ZINC ZINC00901022   UM-BBD c0281   ChemDB 3969469   NCGC NCGC00091534-01   NIST Chemistry WebBook 566520844

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.