5-Hexen-2-one, 5-methyl-


Chemical Name: 5-Hexen-2-one, 5-methyl-
CAS Number: 3240-09-3
Product Number: AG003MVP(AGN-PC-0JO7JO)
Synonyms:
MDL No:
Molecular Formula: C7H12O
Molecular Weight: 112.1696

Identification/Properties


Properties
BP:
150.0°C
Computed Properties
Molecular Weight:
112.172g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
3
Exact Mass:
112.089g/mol
Monoisotopic Mass:
112.089g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
103
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

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NMR Spectrum


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