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Home Other Building Blocks 3-Methyl-2-pentanone

3-Methyl-2-pentanone

CAS No.:
565-61-7
Catalog Number:
AG003774
Molecular Formula:
C6H12O
Molecular Weight:
100.1589
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$116
- +
5g
1 week
United States
$205
- +
10g
1 week
United States
$324
- +
Product Description
Catalog Number:
AG003774
Chemical Name:
3-Methyl-2-pentanone
CAS Number:
565-61-7
Molecular Formula:
C6H12O
Molecular Weight:
100.1589
MDL Number:
MFCD00009336
IUPAC Name:
3-methylpentan-2-one
InChI:
InChI=1S/C6H12O/c1-4-5(2)6(3)7/h5H,4H2,1-3H3
InChI Key:
UIHCLUNTQKBZGK-UHFFFAOYSA-N
SMILES:
CCC(C(=O)C)C
EC Number:
209-282-1
NSC Number:
66492
Properties
Complexity:
66.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
100.089g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
100.161g/mol
Monoisotopic Mass:
100.089g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
Application of ion mobility spectrometry for the detection of human urine. Analytical and bioanalytical chemistry 20101101
Biological activity of volatiles from marine and terrestrial bacteria. Marine drugs 20100101
The effect of raw milk microbial flora on the sensory characteristics of Salers-type cheeses. Journal of dairy science 20051101
Enantiomerization study of some alpha-nitroketones by dynamic high-resolution gas chromatography. The Journal of organic chemistry 20030418
Unfunctionalized, alpha-epimerizable nonracemic ketones and aldehydes can be accessed by crystallization-induced dynamic resolution of imines. Journal of the American Chemical Society 20030319
Properties