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69362-55-6

69362-55-6 | Cyclohexanone, 2-(2,2-dimethyl-1-oxopropyl)-5-methyl-, trans-

CAS No: 69362-55-6 Catalog No: AG006FU5 MDL No:

Product Description

Catalog Number:
AG006FU5
Chemical Name:
Cyclohexanone, 2-(2,2-dimethyl-1-oxopropyl)-5-methyl-, trans-
CAS Number:
69362-55-6
Molecular Formula:
C12H20O2
Molecular Weight:
196.2860
IUPAC Name:
2-(2,2-dimethylpropanoyl)-5-methylcyclohexan-1-one
InChI:
InChI=1S/C12H20O2/c1-8-5-6-9(10(13)7-8)11(14)12(2,3)4/h8-9H,5-7H2,1-4H3
InChI Key:
KPCQDPTYWVZONZ-UHFFFAOYSA-N
SMILES:
C[C@H]1CC[C@@H](C(=O)C1)C(=O)C(C)(C)C

Properties

Complexity:
248  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.146g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.29g/mol
Monoisotopic Mass:
196.146g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

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