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Home Other Building Blocks 2-Acetylcyclohexanone

2-Acetylcyclohexanone

CAS No.:
874-23-7
Catalog Number:
AG0036BB
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$13
- +
5g
95%
In Stock USA
United States
$30
- +
25g
95%
In Stock USA
United States
$82
- +
100g
95%
In Stock USA
United States
$263
- +
Product Description
Catalog Number:
AG0036BB
Chemical Name:
2-Acetylcyclohexanone
CAS Number:
874-23-7
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
MDL Number:
MFCD00001633
IUPAC Name:
2-acetylcyclohexan-1-one
InChI:
InChI=1S/C8H12O2/c1-6(9)7-4-2-3-5-8(7)10/h7H,2-5H2,1H3
InChI Key:
OEKATORRSPXJHE-UHFFFAOYSA-N
SMILES:
O=C1CCCCC1C(=O)C
EC Number:
212-858-5
NSC Number:
7713
Properties
Complexity:
161  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.084g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.182g/mol
Monoisotopic Mass:
140.084g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
Allergic contact dermatitis: epidemiology, molecular mechanisms, in vitro methods and regulatory aspects. Current knowledge assembled at an international workshop at BfR, Germany. Cellular and molecular life sciences : CMLS 20120301
8-Azatetracyclines: synthesis and evaluation of a novel class of tetracycline antibacterial agents. Journal of medicinal chemistry 20110310
Copper-catalyzed amination of (bromophenyl)ethanolamine for a concise synthesis of aniline-containing analogues of NMDA NR2B antagonist ifenprodil. Organic & biomolecular chemistry 20100307
Tautomerization of 2-acetylcyclohexanone. 1. Characterization of keto-enol/enolate equilibria and reaction rates in water. The Journal of organic chemistry 20030404
Nitrosation of 2-acetylcyclohexanone. 2. Reaction in water in the absence and presence of cyclodextrins. The Journal of organic chemistry 20030404
Properties