1,2-Cyclohexanedicarboxylic acid, (1R,2R)-rel-


Chemical Name: 1,2-Cyclohexanedicarboxylic acid, (1R,2R)-rel-
CAS Number: 2305-32-0
Product Number: AG002M0K(AGN-PC-0QZJ9P)
Synonyms:
MDL No:
Molecular Formula: C8H12O4
Molecular Weight: 172.1785

Identification/Properties


Properties
MP:
228-230 °C(lit.)
BP:
384.1°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.4450 (estimate)
Computed Properties
Molecular Weight:
172.18g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
172.074g/mol
Monoisotopic Mass:
172.074g/mol
Topological Polar Surface Area:
74.6A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
177
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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