2-Propyn-1-ol, acetate


Chemical Name: 2-Propyn-1-ol, acetate
CAS Number: 627-09-8
Product Number: AG003TYW(AGN-PC-0ODTQ4)
Synonyms:
MDL No:
Molecular Formula: C5H6O2
Molecular Weight: 98.0999

Identification/Properties


Properties
BP:
27-28 °C(lit.)
Storage:
Room Temperature;Inert atmosphere;
Form:
Liquid
Refractive Index:
n20/D 1.417(lit.)
Computed Properties
Molecular Weight:
98.101g/mol
XLogP3:
0.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
98.037g/mol
Monoisotopic Mass:
98.037g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
107
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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