1,2-Cyclohexanedicarboxylic acid, dimethyl ester, (1R,2S)-rel-


Chemical Name: 1,2-Cyclohexanedicarboxylic acid, dimethyl ester, (1R,2S)-rel-
CAS Number: 1687-29-2
Product Number: AG001Y8J(AGN-PC-0Q9A1Y)
Synonyms:
MDL No:
Molecular Formula: C10H16O4
Molecular Weight: 200.2316

Identification/Properties


Computed Properties
Molecular Weight:
200.234g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
200.105g/mol
Monoisotopic Mass:
200.105g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
200
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#:
N/A
Hazard Statements:
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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