4-isopropyl-2-cyclohexenone


Chemical Name: 4-isopropyl-2-cyclohexenone
CAS Number: 500-02-7
Product Number: AG00DZ6Q(AGN-PC-0WAG36)
Synonyms:
MDL No:
Molecular Formula:
Molecular Weight:

Identification/Properties


Computed Properties
Molecular Weight:
138.21g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
138.104g/mol
Monoisotopic Mass:
138.104g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
156
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


Other Analytical Data


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