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288587-50-8 | 3,4,9,10-Perylenetetracarboxylic acid, 3,4,9,10-tetraoctyl ester
CAS No: 288587-50-8 Catalog No: AG002WUO MDL No:
Product Description
Catalog Number:
AG002WUO
Chemical Name:
3,4,9,10-Perylenetetracarboxylic acid, 3,4,9,10-tetraoctyl ester
CAS Number:
288587-50-8
Molecular Formula:
C56H76O8
Molecular Weight:
877.1978
IUPAC Name:
tetraoctyl perylene-3,4,9,10-tetracarboxylate
InChI:
InChI=1S/C56H76O8/c1-5-9-13-17-21-25-37-61-53(57)45-33-29-41-43-31-35-47(55(59)63-39-27-23-19-15-11-7-3)52-48(56(60)64-40-28-24-20-16-12-8-4)36-32-44(50(43)52)42-30-34-46(51(45)49(41)42)54(58)62-38-26-22-18-14-10-6-2/h29-36H,5-28,37-40H2,1-4H3
InChI Key:
MCQYXALXESBURO-UHFFFAOYSA-N
SMILES:
CCCCCCCCOC(=O)c1ccc2c3c1c(ccc3c1c3c2ccc(c3c(cc1)C(=O)OCCCCCCCC)C(=O)OCCCCCCCC)C(=O)OCCCCCCCC
Properties
Complexity:
1150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
876.554g/mol
Formal Charge:
0
Heavy Atom Count:
64
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
877.216g/mol
Monoisotopic Mass:
876.554g/mol
Rotatable Bond Count:
36
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
18.8
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