1,2-Cyclohexanedicarboxylic acid, 4-oxo-, dimethyl ester, trans-


Chemical Name: 1,2-Cyclohexanedicarboxylic acid, 4-oxo-, dimethyl ester, trans-
CAS Number: 13991-44-1
Product Number: AG001BSU(AGN-PC-0O1XMN)
Synonyms:
MDL No:
Molecular Formula: C10H14O5
Molecular Weight: 214.2152

Identification/Properties


Computed Properties
Molecular Weight:
214.217g/mol
XLogP3:
-0.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
214.084g/mol
Monoisotopic Mass:
214.084g/mol
Topological Polar Surface Area:
69.7A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
284
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
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#:
-
Hazard Statements:
H302-H315-H319
Precautionary Statements:
P261-P302+P352-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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