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


Chemical Name: 1-Hexen-3-ol, 5-methyl-
CAS Number: 4798-46-3
Product Number: AG01E4JS(AGN-PC-04QEY9)
Synonyms:
MDL No:
Molecular Formula: C7H14O
Molecular Weight: 114.1855

Identification/Properties


Computed Properties
Molecular Weight:
114.188g/mol
XLogP3:
1.9
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:
66.8
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

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NMR Spectrum


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