BMRB

Biological Magnetic Resonance Data Bank


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

2-methylbenzyl Alcohol

Graphical representations:

2-methylbenzyl alcohol image

Molecular Formula: C8 H10 O

Natural Isotopic Abundance Mass: 122.1644

Mono-Isotopic Molecular Masses:

  • C12N14: 122.0731649431
  • C13N14: 130.1000036455
  • C12N15: 122.0731649431
  • C13N15: 130.1000036455

InCHi String:

canonical and isomeric SMILES: CC1=CC=CC=C1CO

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
(2-methylphenyl)methanol

PubChem Substance (SID):   85165296   67032   6145105
PubChem Compound (CID):   6994
KEGG: Compound ID   C07213
CAS Registry IDs:   89-95-2
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich 188476_ALDRICH   ZINC ZINC00896724   ChemIDplus 000089952   UM-BBD c0249   ChemSpider 11634569   EINECS 201-954-2   ChemDB 6681872   DTP/NCI 91   NIST 3720291047   MMCD cq_04249   MDL MFCD00004622

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.