chempirical

Propargyl alcohol

C3H4OCAS 107-19-756.06 g/mol

Open in Covalent MOL file
OH
AlcoholAlkyne

Properties

Molecular formula
C3H4O
Molar mass
56.06 g/mol
Exact mass
56.0262 Da
Density
0.9715 g/mL (at 20 °C)
Melting point
−52–48 °C
Boiling point
20 °C (at 11.6 Torr)
logP
-0.39Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
107-19-7
SMILES
C#CCO
InChIKey
TVDSBUOJIPERQY-UHFFFAOYSA-N
InChI
InChI=1S/C3H4O/c1-2-3-4/h1,4H,3H2

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

14 names · show all
  • 2-Propyn-1-ol
  • 1-Propyn-3-ol
  • Propynyl alcohol
  • 1-Hydroxy-2-propyne
  • 3-Hydroxy-1-propyne
  • 2-Propynol
  • 2-Propynyl alcohol
  • Ethynylcarbinol
  • 3-Propynol
  • 1-Propyn-3-yl alcohol
  • Hydroxymethylacetylene
  • NSC 8804
  • 3-Hydroxypropyne
  • Propiolic alcohol

Work with Propargyl alcohol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Butyn-1-ol927-74-244 % similar 1,4-Butynediol110-65-640 % similar 1,5-Hexadiyne628-16-040 % similar 5-Hexyn-1-ol928-90-538 % similar 10-Undecyn-1-ol2774-84-736 % similar 7-Octyn-1-ol871-91-036 % similar 1,6-Heptadiyne2396-63-635 % similar 2,4-Hexadiyne-1,6-diol3031-68-335 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Acrolein107-02-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia