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188917-45-5 | 2,2':5',2''-Terthiophene, 5,5''-didecyl- (9CI)
CAS No: 188917-45-5 Catalog No: AG002HJ0 MDL No:
Product Description
Catalog Number:
AG002HJ0
Chemical Name:
2,2':5',2''-Terthiophene, 5,5''-didecyl- (9CI)
CAS Number:
188917-45-5
Molecular Formula:
C32H48S3
Molecular Weight:
528.9185
IUPAC Name:
2,5-bis(5-decylthiophen-2-yl)thiophene
InChI:
InChI=1S/C32H48S3/c1-3-5-7-9-11-13-15-17-19-27-21-23-29(33-27)31-25-26-32(35-31)30-24-22-28(34-30)20-18-16-14-12-10-8-6-4-2/h21-26H,3-20H2,1-2H3
InChI Key:
SHZANEXXMZNSBH-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCc1ccc(s1)c1ccc(s1)c1ccc(s1)CCCCCCCCCC
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
528.292g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
528.916g/mol
Monoisotopic Mass:
528.292g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
14.3
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