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Home Other Building Blocks 1,4-Cyclohexanedione, 2,2,6-trimethyl-

1,4-Cyclohexanedione, 2,2,6-trimethyl-

CAS No.:
20547-99-3
Catalog Number:
AG002A3Z
Molecular Formula:
C9H14O2
Molecular Weight:
154.2063
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Product Description
Catalog Number:
AG002A3Z
Chemical Name:
1,4-Cyclohexanedione, 2,2,6-trimethyl-
CAS Number:
20547-99-3
Molecular Formula:
C9H14O2
Molecular Weight:
154.2063
MDL Number:
MFCD14708262
IUPAC Name:
2,2,6-trimethylcyclohexane-1,4-dione
InChI:
InChI=1S/C9H14O2/c1-6-4-7(10)5-9(2,3)8(6)11/h6H,4-5H2,1-3H3
InChI Key:
HVHHZSFNAYSPSA-UHFFFAOYSA-N
SMILES:
O=C1CC(C)C(=O)C(C1)(C)C
Properties
Complexity:
204  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.099g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.209g/mol
Monoisotopic Mass:
154.099g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
Yeast cell factories for fine chemical and API production. Microbial cell factories 20080101
A variety of volatile compounds as markers in unifloral honey from dalmatian sage (Salvia officinalis L.). Chemistry & biodiversity 20061201
Generation of saffron volatiles by thermal carotenoid degradation. Journal of agricultural and food chemistry 20060906
Use of SPME-GC-MS in the study of time evolution of the constituents of saffron aroma: modifications of the composition during storage. Journal of chromatographic science 20060101
Properties