1,4-Cyclohexanedicarboxylic acid, 2,5-dioxo-, dimethyl ester


Chemical Name: 1,4-Cyclohexanedicarboxylic acid, 2,5-dioxo-, dimethyl ester
CAS Number: 6289-46-9
Product Number: AG003G0F(AGN-PC-0JM0XE)
Synonyms:
MDL No:
Molecular Formula: C10H12O6
Molecular Weight: 228.1987

Identification/Properties


Properties
MP:
154-157 °C
BP:
350.5°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Refractive Index:
1.6000 (estimate)
Computed Properties
Molecular Weight:
228.2g/mol
XLogP3:
-0.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
4
Exact Mass:
228.063g/mol
Monoisotopic Mass:
228.063g/mol
Topological Polar Surface Area:
86.7A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
311
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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