Bicyclo[2.2.2]octane-1,4-dicarboxylic acid, monomethyl ester


Chemical Name: Bicyclo[2.2.2]octane-1,4-dicarboxylic acid, monomethyl ester
CAS Number: 18720-35-9
Product Number: AG0033TJ(AGN-PC-05F9ZZ)
Synonyms:
MDL No:
Molecular Formula: C11H16O4
Molecular Weight: 212.2423

Identification/Properties


Properties
MP:
169 - 173 °C
BP:
322.473°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
212.245g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
212.105g/mol
Monoisotopic Mass:
212.105g/mol
Topological Polar Surface Area:
63.6A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
283
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
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:
H315-H319
Precautionary Statements:
P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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