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832732-79-3

832732-79-3 | 1,3-Propanedione, 1,3-bis(3,4'-dihexyl[2,2'-bithiophen]-5-yl)-

CAS No: 832732-79-3 Catalog No: AG0056HI MDL No:

Product Description

Catalog Number:
AG0056HI
Chemical Name:
1,3-Propanedione, 1,3-bis(3,4'-dihexyl[2,2'-bithiophen]-5-yl)-
CAS Number:
832732-79-3
Molecular Formula:
C43H60O2S4
Molecular Weight:
737.1953
IUPAC Name:
1,3-bis[4-hexyl-5-(4-hexylthiophen-2-yl)thiophen-2-yl]propane-1,3-dione
InChI:
InChI=1S/C43H60O2S4/c1-5-9-13-17-21-32-25-40(46-30-32)42-34(23-19-15-11-7-3)27-38(48-42)36(44)29-37(45)39-28-35(24-20-16-12-8-4)43(49-39)41-26-33(31-47-41)22-18-14-10-6-2/h25-28,30-31H,5-24,29H2,1-4H3
InChI Key:
YQHQFMUMUKUCRN-UHFFFAOYSA-N
SMILES:
CCCCCCc1cc(sc1c1scc(c1)CCCCCC)C(=O)CC(=O)c1cc(c(s1)c1scc(c1)CCCCCC)CCCCCC

Properties

Complexity:
856  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
736.348g/mol
Formal Charge:
0
Heavy Atom Count:
49  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
737.191g/mol
Monoisotopic Mass:
736.348g/mol
Rotatable Bond Count:
26  
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
17.8  

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