Home Carboxys Diethyl 2,5-dioxocyclohexane-1,4-dicarboxylate

Diethyl 2,5-dioxocyclohexane-1,4-dicarboxylate

CAS No.:
787-07-5
Catalog Number:
AG003PF2
Molecular Formula:
C12H16O6
Molecular Weight:
256.2518
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Product Description
Catalog Number:
AG003PF2
Chemical Name:
Diethyl 2,5-dioxocyclohexane-1,4-dicarboxylate
CAS Number:
787-07-5
Molecular Formula:
C12H16O6
Molecular Weight:
256.2518
MDL Number:
MFCD00001608
IUPAC Name:
diethyl 2,5-dioxocyclohexane-1,4-dicarboxylate
InChI:
InChI=1S/C12H16O6/c1-3-17-11(15)7-5-10(14)8(6-9(7)13)12(16)18-4-2/h7-8H,3-6H2,1-2H3
InChI Key:
KSKWGMNRWCYVAT-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CC(=O)C(CC1=O)C(=O)OCC
EC Number:
212-327-8
Properties
Complexity:
337  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.095g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.254g/mol
Monoisotopic Mass:
256.095g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties