3-Hexen-1-ol, (3E)-


Chemical Name: 3-Hexen-1-ol, (3E)-
CAS Number: 928-97-2
Product Number: AG003UXC(AGN-PC-0ONGVN)
Synonyms:
MDL No:
Molecular Formula: C6H12O
Molecular Weight: 100.1589

Identification/Properties


Properties
MP:
99℃
BP:
156.5°C
Storage:
2-8℃;
Form:
Solid
Refractive Index:
n20/D 1.439(lit.)
Computed Properties
Molecular Weight:
100.161g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
3
Exact Mass:
100.089g/mol
Monoisotopic Mass:
100.089g/mol
Topological Polar Surface Area:
20.2A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
48.1
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
1987
Hazard Statements:
H226-H319
Precautionary Statements:
P305+P351+P338
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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