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115702-68-6 | 1,2-Cyclohexanedicarboxylic acid, bis(methylcyclohexyl) ester (9CI)
CAS No: 115702-68-6 Catalog No: AG000GRZ MDL No:
Product Description
Catalog Number:
AG000GRZ
Chemical Name:
1,2-Cyclohexanedicarboxylic acid, bis(methylcyclohexyl) ester (9CI)
CAS Number:
115702-68-6
Molecular Formula:
C22H36O4
Molecular Weight:
364.5188
IUPAC Name:
bis(1-methylcyclohexyl) cyclohexane-1,2-dicarboxylate
InChI:
InChI=1S/C22H36O4/c1-21(13-7-3-8-14-21)25-19(23)17-11-5-6-12-18(17)20(24)26-22(2)15-9-4-10-16-22/h17-18H,3-16H2,1-2H3
InChI Key:
NIEGHGYTKWFAEY-UHFFFAOYSA-N
SMILES:
O=C(C1CCCCC1C(=O)OC1(C)CCCCC1)OC1(C)CCCCC1
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.261g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
364.526g/mol
Monoisotopic Mass:
364.261g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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