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17351-22-3 | 1,2-Cyclohexanedicarboxylic acid, 1,2-diethyl ester, (1R,2R)-rel-
CAS No: 17351-22-3 Catalog No: AG001YZG MDL No:
Product Description
Catalog Number:
AG001YZG
Chemical Name:
1,2-Cyclohexanedicarboxylic acid, 1,2-diethyl ester, (1R,2R)-rel-
CAS Number:
17351-22-3
Molecular Formula:
C12H20O4
Molecular Weight:
228.2848
IUPAC Name:
diethyl (1R,2R)-cyclohexane-1,2-dicarboxylate
InChI:
InChI=1S/C12H20O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h9-10H,3-8H2,1-2H3/t9-,10-/m1/s1
InChI Key:
ZTUZDYWYNQDJKR-NXEZZACHSA-N
SMILES:
CCOC(=O)[C@@H]1CCCC[C@H]1C(=O)OCC
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
228.136g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.288g/mol
Monoisotopic Mass:
228.136g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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