3-Hexyn-1-ol


Chemical Name: 3-Hexyn-1-ol
CAS Number: 1002-28-4
Product Number: AG00017L(AGN-PC-0JL6Z2)
Synonyms:
MDL No:
Molecular Formula: C6H10O
Molecular Weight: 98.1430

Identification/Properties


Properties
MP:
-34°C (estimate)
BP:
163.0°C
Storage:
Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.454(lit.)
Computed Properties
Molecular Weight:
98.145g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
98.073g/mol
Monoisotopic Mass:
98.073g/mol
Topological Polar Surface Area:
20.2A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
82.8
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


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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