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Home Carboxys Dimethyl 1,4-cyclohexanedione-2,5-dicarboxylate

Dimethyl 1,4-cyclohexanedione-2,5-dicarboxylate

CAS No.:
6289-46-9
Catalog Number:
AG003G0F
Molecular Formula:
C10H12O6
Molecular Weight:
228.1987
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$25
- +
100g
98%
In Stock USA
United States
$57
- +
500g
98%
In Stock USA
United States
$175
- +
Product Description
Catalog Number:
AG003G0F
Chemical Name:
Dimethyl 1,4-cyclohexanedione-2,5-dicarboxylate
CAS Number:
6289-46-9
Molecular Formula:
C10H12O6
Molecular Weight:
228.1987
MDL Number:
MFCD00001607
IUPAC Name:
dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate
InChI:
InChI=1S/C10H12O6/c1-15-9(13)5-3-8(12)6(4-7(5)11)10(14)16-2/h5-6H,3-4H2,1-2H3
InChI Key:
MHKKFFHWMKEBDW-UHFFFAOYSA-N
SMILES:
COC(=O)C1CC(=O)C(CC1=O)C(=O)OC
EC Number:
228-528-9
Properties
Complexity:
311  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.063g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.2g/mol
Monoisotopic Mass:
228.063g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
Literature
Title Journal
Three novel Bi(III) complexes with in situ generated anilate ligands: unusual oxidation of cyclohexanedione to dihydroxy benzoquinone. Dalton transactions (Cambridge, England : 2003) 20120207
Synthesis and properties of poly[p-(2,5-dihydroxy)-phenylenebenzobisoxazole] fiber. International journal of molecular sciences 20081101
Properties