4-Cyclohexene-1,2-dicarboxylic acid, diethyl ester, (1R,2R)-rel-


Chemical Name: 4-Cyclohexene-1,2-dicarboxylic acid, diethyl ester, (1R,2R)-rel-
CAS Number: 5048-50-0
Product Number: AG003PHI(AGN-PC-0S8IAF)
Synonyms:
MDL No:
Molecular Formula: C12H18O4
Molecular Weight: 226.2689

Identification/Properties


Properties
BP:
293.5°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Computed Properties
Molecular Weight:
226.272g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
6
Exact Mass:
226.121g/mol
Monoisotopic Mass:
226.121g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
255
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:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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