Biological Magnetic Resonance Data Bank

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


Graphical representations:

Ethanol image

Molecular Formula: C2 H6 O

Natural Isotopic Abundance Mass: 46.0684400000

Mono-Isotopic Molecular Masses:

  • C12N14: 46.0418648147
  • C13N14: 48.0485744903
  • C12N15: 46.0418648147
  • C13N15: 48.0485744903

InCHi String: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3

canonical SMILES: CCO

IUPAC: IUPAC traditional: IUPAC openeye: IUPAC cas: IUPAC systematic

PubChem Substance (SID):   85165101   149046   3752
PubChem Compound (CID):   702
KEGG: Compound ID   C00469
CAS Registry IDs:   8000-16-6   64-17-5   8024-45-1   121182-78-3
PDB Chemical Component   EOH
Miscellaneous Databases and IDs:   ChemIDplus 000064175   EINECS 200-578-6   Caswell No. 430   CCRIS 945   EPA Pesticide Chemical Code 001501   HSDB 82   FEMA No. 2419

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.