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


Chemical Name: 1,2-Cyclohexanedicarboxylic acid, (1R,2R)-
CAS Number: 46022-05-3
Product Number: AG00I8K2(AGN-PC-0OAJ21)
Synonyms:
MDL No: MFCD00062973
Molecular Formula: C8H12O4
Molecular Weight: 172.17848

Identification/Properties


Properties
MP:
184°C
BP:
384.075°C at 760 mmHg
Storage:
Room Temperature;
Form:
Solid
Refractive Index:
-18 ° (C=1, Acetone)
Solubility:
Soluble in acetone.
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


NMR Spectrum


Other Analytical Data


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