3,5-Cyclohexadiene-1,2-dione, 3-(1,1-dimethylethyl)-5-methoxy-


Chemical Name: 3,5-Cyclohexadiene-1,2-dione, 3-(1,1-dimethylethyl)-5-methoxy-
CAS Number: 2940-63-8
Product Number: AG002Y9Q(AGN-PC-0JMNUA)
Synonyms:
MDL No:
Molecular Formula: C11H14O3
Molecular Weight: 194.2271

Identification/Properties


Computed Properties
Molecular Weight:
194.23g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
194.094g/mol
Monoisotopic Mass:
194.094g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
340
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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