BMRB

Biological Magnetic Resonance Data Bank


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

Propargyl Alcohol

Graphical representations:

Propargyl alcohol image

Molecular Formula: C3 H4 O

Natural Isotopic Abundance Mass: 56.06326

Mono-Isotopic Molecular Masses:

  • C12N14: 56.0262147505
  • C13N14: 59.0362792639
  • C12N15: 56.0262147505
  • C13N15: 59.0362792639

InCHi String:

canonical and isomeric SMILES: C#CCO

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
prop-2-yn-1-ol

PubChem Substance (SID):   85165159   7853315   74420
PubChem Compound (CID):   7859
KEGG: Compound ID   C05986
CAS Registry IDs:   107-19-7
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich 81820_FLUKA   EPA DSSTox 1883   ChEBI CHEBI:28905   HSDB 6054   ChemIDplus 000107197   ChemSpider 10629399   EINECS 203-471-2   CCRIS 6781   NMRShiftDB 10016645   Beilstein Handbook Reference 4-01-00-02214   ChemDB 3969535   NCGC NCGC00091559-01   DTP/NCI 8804   NIST Chemistry WebBook 1823644871   MMCD cq_03368   MDL MFCD00002912

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.