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117278-55-4 | Ethanedioic acid, 1,2-bis(4-methylcyclohexyl) ester
CAS No: 117278-55-4 Catalog No: AG000E0X MDL No:
Product Description
Catalog Number:
AG000E0X
Chemical Name:
Ethanedioic acid, 1,2-bis(4-methylcyclohexyl) ester
CAS Number:
117278-55-4
Molecular Formula:
C16H26O4
Molecular Weight:
282.3752
IUPAC Name:
bis(4-methylcyclohexyl) oxalate
InChI:
InChI=1S/C16H26O4/c1-11-3-7-13(8-4-11)19-15(17)16(18)20-14-9-5-12(2)6-10-14/h11-14H,3-10H2,1-2H3
InChI Key:
XAGCIQGLXZEGTN-UHFFFAOYSA-N
SMILES:
CC1CCC(CC1)OC(=O)C(=O)OC1CCC(CC1)C
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.183g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.38g/mol
Monoisotopic Mass:
282.183g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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