2,6-ditert-butyl-4-hydroxy-4-methylcyclohexa-2,5-dien-1-one


Chemical Name: 2,6-ditert-butyl-4-hydroxy-4-methylcyclohexa-2,5-dien-1-one
CAS Number: 10396-80-2
Product Number: AG007WVJ(AGN-PC-0JMUXJ)
Synonyms:
MDL No: MFCD01734499
Molecular Formula: C15H24O2
Molecular Weight: 236.3499

Identification/Properties


Computed Properties
Molecular Weight:
236.355g/mol
XLogP3:
3.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
236.178g/mol
Monoisotopic Mass:
236.178g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
364
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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