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83982-11-0 | 1,4-Cyclohexanedicarboxylic acid, bis(4-heptylphenyl) ester, trans-
CAS No: 83982-11-0 Catalog No: AG004QIU MDL No:
Product Description
Catalog Number:
AG004QIU
Chemical Name:
1,4-Cyclohexanedicarboxylic acid, bis(4-heptylphenyl) ester, trans-
CAS Number:
83982-11-0
Molecular Formula:
C34H48O4
Molecular Weight:
520.7425
IUPAC Name:
bis(4-heptylphenyl) cyclohexane-1,4-dicarboxylate
InChI:
InChI=1S/C34H48O4/c1-3-5-7-9-11-13-27-15-23-31(24-16-27)37-33(35)29-19-21-30(22-20-29)34(36)38-32-25-17-28(18-26-32)14-12-10-8-6-4-2/h15-18,23-26,29-30H,3-14,19-22H2,1-2H3
InChI Key:
ISEBDONFOXNCFA-UHFFFAOYSA-N
SMILES:
CCCCCCCc1ccc(cc1)OC(=O)[C@@H]1CC[C@H](CC1)C(=O)Oc1ccc(cc1)CCCCCCC
Properties
Complexity:
581
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
520.355g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
520.754g/mol
Monoisotopic Mass:
520.355g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.3
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