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105-42-0

105-42-0 | 4-Methyl-2-hexanone

CAS No: 105-42-0 Catalog No: AG003893 MDL No:MFCD00048654

Product Description

Catalog Number:
AG003893
Chemical Name:
4-Methyl-2-hexanone
CAS Number:
105-42-0
Molecular Formula:
C7H14O
Molecular Weight:
114.1855
MDL Number:
MFCD00048654
IUPAC Name:
4-methylhexan-2-one
InChI:
InChI=1S/C7H14O/c1-4-6(2)5-7(3)8/h6H,4-5H2,1-3H3
InChI Key:
XUPXMIAWKPTZLZ-UHFFFAOYSA-N
SMILES:
CCC(CC(=O)C)C
NSC Number:
128218

Properties

Complexity:
76.5  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.104g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
114.188g/mol
Monoisotopic Mass:
114.104g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

Literature

Title Journal
Evaluation of lipid oxidation and oxidative products as affected by pork meat cut, packaging method, and storage time during frozen storage (-10 degrees C). Journal of food science 20070301

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