BMRB

Biological Magnetic Resonance Data Bank


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

propanol

Graphical representations:

propanol image

Molecular Formula: C3 H8 O

Natural Isotopic Abundance Mass: 60.09502

Mono-Isotopic Molecular Masses:

  • C12N14: 60.0575148789
  • C13N14: 63.0675793923
  • C12N15: 60.0575148789
  • C13N15: 63.0675793923

InCHi String: InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3

canonical and isomeric SMILES: CCCO

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
propan-1-ol

PubChem Substance (SID):   85165235   46295345   7853210
PubChem Compound (CID):   1031
KEGG: Compound ID   C05979
CAS Registry IDs:   71-23-8
PDB Chemical Component   POL
Miscellaneous Databases and IDs:   Sigma-Aldrich 279544_ALDRICH   BioCyc PROPANOL   ChemSpider 11553255   MMDB 47903.3   NMRShiftDB 10008030   CambridgeSoft Corporation 8071   EPA DSSTox 1739   DrugBank DB03175   ChemDB 3969411   NIST Chemistry WebBook 914403249

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.