Home Other Building Blocks 2,2,6-TRIMETHYLCYCLOHEXANONE

2,2,6-TRIMETHYLCYCLOHEXANONE

CAS No.:
2408-37-9
Catalog Number:
AG0032WI
Molecular Formula:
C9H16O
Molecular Weight:
140.2227
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Product Description
Catalog Number:
AG0032WI
Chemical Name:
2,2,6-TRIMETHYLCYCLOHEXANONE
CAS Number:
2408-37-9
Molecular Formula:
C9H16O
Molecular Weight:
140.2227
MDL Number:
MFCD00045550
IUPAC Name:
2,2,6-trimethylcyclohexan-1-one
InChI:
InChI=1S/C9H16O/c1-7-5-4-6-9(2,3)8(7)10/h7H,4-6H2,1-3H3
InChI Key:
ZPVOLGVTNLDBFI-UHFFFAOYSA-N
SMILES:
CC1CCCC(C1=O)(C)C
EC Number:
219-309-9
NSC Number:
401659
FEMA Number:
3473
Properties
Complexity:
147  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.12g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.226g/mol
Monoisotopic Mass:
140.12g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
Simultaneous distillation-extraction of high-value volatile compounds from Cistus ladanifer L. Analytica chimica acta 20070219
Properties