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84196-00-9 | Bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylicacid, tetraisononyl ester (9CI)
CAS No: 84196-00-9 Catalog No: AG004RYP MDL No:
Product Description
Catalog Number:
AG004RYP
Chemical Name:
Bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylicacid, tetraisononyl ester (9CI)
CAS Number:
84196-00-9
Molecular Formula:
C48H84O8
Molecular Weight:
789.1758
IUPAC Name:
tetrakis(7-methyloctyl) bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylate
InChI:
InChI=1S/C48H84O8/c1-35(2)25-17-9-13-21-31-53-45(49)41-39-29-30-40(42(41)46(50)54-32-22-14-10-18-26-36(3)4)44(48(52)56-34-24-16-12-20-28-38(7)8)43(39)47(51)55-33-23-15-11-19-27-37(5)6/h29-30,35-44H,9-28,31-34H2,1-8H3
InChI Key:
APBQJRYOSSLQFR-UHFFFAOYSA-N
SMILES:
CC(CCCCCCOC(=O)C1C2C=CC(C1C(=O)OCCCCCCC(C)C)C(C2C(=O)OCCCCCCC(C)C)C(=O)OCCCCCCC(C)C)C
EC Number:
282-408-0
Properties
Complexity:
960
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
788.617g/mol
Formal Charge:
0
Heavy Atom Count:
56
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
789.192g/mol
Monoisotopic Mass:
788.617g/mol
Rotatable Bond Count:
36
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
14.9
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