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116410-59-4 | 1,4-Cyclohexanedicarboxylic acid, 2,5-dioxo-, 1,4-dihexyl ester
CAS No: 116410-59-4 Catalog No: AG000CF2 MDL No:
Product Description
Catalog Number:
AG000CF2
Chemical Name:
1,4-Cyclohexanedicarboxylic acid, 2,5-dioxo-, 1,4-dihexyl ester
CAS Number:
116410-59-4
Molecular Formula:
C20H32O6
Molecular Weight:
368.4645
IUPAC Name:
dihexyl 2,5-dioxocyclohexane-1,4-dicarboxylate
InChI:
InChI=1S/C20H32O6/c1-3-5-7-9-11-25-19(23)15-13-18(22)16(14-17(15)21)20(24)26-12-10-8-6-4-2/h15-16H,3-14H2,1-2H3
InChI Key:
YCBIDDHQTUVPBA-UHFFFAOYSA-N
SMILES:
CCCCCCOC(=O)C1CC(=O)C(CC1=O)C(=O)OCCCCCC
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.22g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.47g/mol
Monoisotopic Mass:
368.22g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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