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114049-80-8 | 2,3':4',2'':5'',3''':4''',2'''':5'''',3''''':4''''',2''''''-Septithiophene (9CI)
CAS No: 114049-80-8 Catalog No: AG000AEL MDL No:
Product Description
Catalog Number:
AG000AEL
Chemical Name:
2,3':4',2'':5'',3''':4''',2'''':5'''',3''''':4''''',2''''''-Septithiophene (9CI)
CAS Number:
114049-80-8
Molecular Formula:
C28H16S7
Molecular Weight:
576.8816
IUPAC Name:
3,4-bis[5-(4-thiophen-2-ylthiophen-3-yl)thiophen-2-yl]thiophene
InChI:
InChI=1S/C28H16S7/c1-3-23(32-9-1)17-11-29-13-19(17)25-5-7-27(34-25)21-15-31-16-22(21)28-8-6-26(35-28)20-14-30-12-18(20)24-4-2-10-33-24/h1-16H
InChI Key:
SGFWKUVBRGSDTE-UHFFFAOYSA-N
SMILES:
s1cc(c(c1)c1ccc(s1)c1cscc1c1cccs1)c1ccc(s1)c1cscc1c1cccs1
Properties
Complexity:
661
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
575.93g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
576.856g/mol
Monoisotopic Mass:
575.93g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
198A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.7
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