bmse000363 Propargyl alcohol at BMRB

Propargyl alcohol

1-Propyn-3-ol; prop-2-yn-1-ol; PROPARGYL ALCOHOL; 2-propyn-1-ol; 3-Hydroxy-1-propyne; 2-Propynyl alcohol; Ethynyl carbinol; Propargyl alcohol; Acetylene carbinol; Agrisynth PA; 1-Hydroxy-2-propyne

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

Propargyl alcohol

InCHi String:
InChI=1S/C3H4O/c1-2-3-4/h1,4H,3H2

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.