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Home Other Building Blocks 4-Hydroxycyclohexanone

4-Hydroxycyclohexanone

CAS No.:
13482-22-9
Catalog Number:
AG003429
Molecular Formula:
C6H10O2
Molecular Weight:
114.1424
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$25
- +
5g
97%
In Stock USA
United States
$75
- +
10g
97%
In Stock USA
United States
$125
- +
25g
97%
In Stock USA
United States
$225
- +
100g
97%
In Stock USA
United States
$675
- +
Product Description
Catalog Number:
AG003429
Chemical Name:
4-Hydroxycyclohexanone
CAS Number:
13482-22-9
Molecular Formula:
C6H10O2
Molecular Weight:
114.1424
MDL Number:
MFCD02093817
IUPAC Name:
4-hydroxycyclohexan-1-one
InChI:
InChI=1S/C6H10O2/c7-5-1-2-6(8)4-3-5/h5,7H,1-4H2
InChI Key:
BXBJZYXQHHPVGO-UHFFFAOYSA-N
SMILES:
OC1CCC(=O)CC1
EC Number:
620-210-1
Properties
Complexity:
88.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.068g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
114.144g/mol
Monoisotopic Mass:
114.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Literature
Title Journal
The thio-adduct facilitated, enzymatic kinetic resolution of 4-hydroxycyclopentenone and 4-hydroxycyclohexenone. Organic & biomolecular chemistry 20100207
New bioorganic reagents: evolved cyclohexanone monooxygenase--why is it more selective? The Journal of organic chemistry 20061027
Microbial Baeyer-Villiger oxidation: stereopreference and substrate acceptance of cyclohexanone monooxygenase mutants prepared by directed evolution. Organic letters 20060316
Properties