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Home Other Building Blocks 4-Methylcyclohexanone

4-Methylcyclohexanone

CAS No.:
589-92-4
Catalog Number:
AG00374X
Molecular Formula:
C7H12O
Molecular Weight:
112.1696
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$19
- +
100g
98%
In Stock USA
United States
$50
- +
Product Description
Catalog Number:
AG00374X
Chemical Name:
4-Methylcyclohexanone
CAS Number:
589-92-4
Molecular Formula:
C7H12O
Molecular Weight:
112.1696
MDL Number:
MFCD00001643
IUPAC Name:
4-methylcyclohexan-1-one
InChI:
InChI=1S/C7H12O/c1-6-2-4-7(8)5-3-6/h6H,2-5H2,1H3
InChI Key:
VGVHNLRUAMRIEW-UHFFFAOYSA-N
SMILES:
CC1CCC(=O)CC1
EC Number:
209-665-3
UNII:
0L1R78K79S
NSC Number:
3816
FEMA Number:
3948
Properties
Complexity:
86.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.089g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
112.172g/mol
Monoisotopic Mass:
112.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Literature
Title Journal
(2S,4S)-2-[(S,E)-2-Bromo-1-nitro-methyl-3-phenyl-all-yl]-4-methyl-cyclo-hexa-none. Acta crystallographica. Section E, Structure reports online 20120401
Quantum mechanical/molecular mechanical study on the mechanism of the enzymatic Baeyer-Villiger reaction. Journal of the American Chemical Society 20120208
2,4-Bis(2-eth-oxy-phen-yl)-7-methyl-3-aza-bicyclo-[3.3.1]nonan-9-one. Acta crystallographica. Section E, Structure reports online 20110601
A concise total synthesis of (+/-)-acutifolone A. Organic & biomolecular chemistry 20090821
8-Methyl-4-morpholinoethyl-1-thia-4-aza-spiro-[4.5]decan-3-one. Acta crystallographica. Section E, Structure reports online 20080801
rac-2-Hydroxy-2,8-dimethyl-4-morpho-linoethyl-1-thia-4-aza-spiro-[4.5]decan-3-one. Acta crystallographica. Section E, Structure reports online 20080801
Enolate structure and electron affinity. The journal of physical chemistry. A 20051006
Catalytic oxidation with air of cyclohexanone to dicarboxylic acids on synthetic carbons. Effect of supported metals and solvents. The journal of physical chemistry. B 20050217
A concise formal synthesis of alkaloid cryptotackiene and substituted 6H-indolo[2,3-b]quinolines. The Journal of organic chemistry 20040820
Properties