2-Propyn-1-ol, benzenesulfonate


Chemical Name: 2-Propyn-1-ol, benzenesulfonate
CAS Number: 6165-75-9
Product Number: AG003TYZ(AGN-PC-0ODG5I)
Synonyms:
MDL No:
Molecular Formula: C9H8O3S
Molecular Weight: 196.2230

Identification/Properties


Properties
MP:
-30 °C
BP:
140-142°C at 2 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.525(lit.)
Computed Properties
Molecular Weight:
196.22g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
196.019g/mol
Monoisotopic Mass:
196.019g/mol
Topological Polar Surface Area:
51.8A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
285
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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