Home Other Building Blocks 5-Hexen-2-one

5-Hexen-2-one

CAS No.:
109-49-9
Catalog Number:
AG0034A3
Molecular Formula:
C6H10O
Molecular Weight:
98.1430
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
>98.0%(GC)
1 week
United States
$84
- +
25g
>98.0%(GC)
1 week
United States
$167
- +
Product Description
Catalog Number:
AG0034A3
Chemical Name:
5-Hexen-2-one
CAS Number:
109-49-9
Molecular Formula:
C6H10O
Molecular Weight:
98.1430
MDL Number:
MFCD00008793
IUPAC Name:
hex-5-en-2-one
InChI:
InChI=1S/C6H10O/c1-3-4-5-6(2)7/h3H,1,4-5H2,2H3
InChI Key:
RNDVGJZUHCKENF-UHFFFAOYSA-N
SMILES:
C=CCCC(=O)C
EC Number:
203-675-1
UNII:
XWM6RL9YEI
NSC Number:
6973
Properties
Complexity:
74.2  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
98.073g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
98.145g/mol
Monoisotopic Mass:
98.073g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Literature
Title Journal
Kinetic investigation of the OH radical and Cl atom initiated degradation of unsaturated ketones at atmospheric pressure and 298 K. The journal of physical chemistry. A 20120621
Metathesis-mediated synthesis of (R)-10-methyl-2-tridecanone, the southern corn rootworm pheromone. Bioscience, biotechnology, and biochemistry 20120101
Degradation of hexane and other recalcitrant hydrocarbons by a novel isolate, Rhodococcus sp. EH831. Environmental science and pollution research international 20100101
Carbon monoxide solubility in ionic liquids: determination, prediction and relevance to hydroformylation. Chemical communications (Cambridge, England) 20040507
Competition and selectivity of organic reactions on semiconductor surfaces: reaction of unsaturated ketones on Si(100)-2 x 1 and Ge(100)-2 x 1. Journal of the American Chemical Society 20020731
Properties