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Home Other Building Blocks 5-Methyl-2-hexanone

5-Methyl-2-hexanone

CAS No.:
110-12-3
Catalog Number:
AG003MV5
Molecular Formula:
C7H14O
Molecular Weight:
114.1855
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Product Description
Catalog Number:
AG003MV5
Chemical Name:
5-Methyl-2-hexanone
CAS Number:
110-12-3
Molecular Formula:
C7H14O
Molecular Weight:
114.1855
MDL Number:
MFCD00008950
IUPAC Name:
5-methylhexan-2-one
InChI:
InChI=1S/C7H14O/c1-6(2)4-5-7(3)8/h6H,4-5H2,1-3H3
InChI Key:
FFWSICBKRCICMR-UHFFFAOYSA-N
SMILES:
CC(CCC(=O)C)C
EC Number:
203-737-8
UNII:
6O4A4A5F28
RTECS Number:
MP3850000
UN Number:
2302
Properties
Complexity:
74.5  
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
A bio-catalytic approach to aliphatic ketones. Scientific reports 20120101
Odorant-binding proteins of the malaria mosquito Anopheles funestus sensu stricto. PloS one 20100101
Degradation characteristics of methyl ethyl ketone by Pseudomonas sp. KT-3 in liquid culture and biofilter. Chemosphere 20060401
Synthesis and antimicrobial activity of 3-hydroxyimino-5-methyl-2-hexanone(HIMH) and its dioxime derivative. Acta poloniae pharmaceutica 20020101
Properties