5-Hexen-3-ol, 3-methyl-


Chemical Name: 5-Hexen-3-ol, 3-methyl-
CAS Number: 1569-44-4
Product Number: AG001P2Q(AGN-PC-0JKC7I)
Synonyms:
MDL No:
Molecular Formula: C7H14O
Molecular Weight: 114.1855

Identification/Properties


Computed Properties
Molecular Weight:
114.188g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
3
Exact Mass:
114.104g/mol
Monoisotopic Mass:
114.104g/mol
Topological Polar Surface Area:
20.2A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
78.5
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


GHS Pictogram:
Signal Word:
Danger
UN#:
1993
Hazard Statements:
H226
Precautionary Statements:
P210-P403+P235
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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