Home Other Building Blocks 2-Acetyl-1,3-cyclohexanedione

2-Acetyl-1,3-cyclohexanedione

CAS No.:
4056-73-9
Catalog Number:
AG003GAR
Molecular Formula:
C8H10O3
Molecular Weight:
154.1632
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$75
- +
5g
97%
In Stock USA
United States
$188
- +
10g
97%
In Stock USA
United States
$282
- +
25g
97%
In Stock USA
United States
$569
- +
Product Description
Catalog Number:
AG003GAR
Chemical Name:
2-Acetyl-1,3-cyclohexanedione
CAS Number:
4056-73-9
Molecular Formula:
C8H10O3
Molecular Weight:
154.1632
MDL Number:
MFCD00001586
IUPAC Name:
2-acetylcyclohexane-1,3-dione
InChI:
InChI=1S/C8H10O3/c1-5(9)8-6(10)3-2-4-7(8)11/h8H,2-4H2,1H3
InChI Key:
CHNXDYRMRBQOEF-UHFFFAOYSA-N
SMILES:
CC(=O)C1C(=O)CCCC1=O
Properties
Complexity:
201  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.063g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.165g/mol
Monoisotopic Mass:
154.063g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Literature
Title Journal
Solid-phase fluoroimmunoassay for the determination of mesotrione--a novel triketone herbicide--in water with direct measurement of the fluorescence onto the solid support. The Analyst 20030401
SAR studies of 2-o-substituted-benzoyl- and 2-alkanoyl-cyclohexane-1,3-diones as inhibitors of 4-hydroxyphenylpyruvate dioxygenase. Bioorganic & medicinal chemistry letters 20000501
Properties