3-Buten-2-ol


Chemical Name: 3-Buten-2-ol
CAS Number: 598-32-3
Product Number: AG003J5J(AGN-PC-0JKA6H)
Synonyms:
MDL No:
Molecular Formula: C4H8O
Molecular Weight: 72.1057

Identification/Properties


Properties
MP:
-100 °C
BP:
100°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Refractive Index:
n20/D 1.415(lit.)
Computed Properties
Molecular Weight:
72.107g/mol
XLogP3:
0.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
72.058g/mol
Monoisotopic Mass:
72.058g/mol
Topological Polar Surface Area:
20.2A^2
Heavy Atom Count:
5
Formal Charge:
0
Complexity:
32.6
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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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