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161746-06-1 | Thiophene, 3,4-dioctyl-
CAS No: 161746-06-1 Catalog No: AG001VUI MDL No:
Product Description
Catalog Number:
AG001VUI
Chemical Name:
Thiophene, 3,4-dioctyl-
CAS Number:
161746-06-1
Molecular Formula:
C20H36S
Molecular Weight:
308.5648
IUPAC Name:
3,4-dioctylthiophene
InChI:
InChI=1S/C20H36S/c1-3-5-7-9-11-13-15-19-17-21-18-20(19)16-14-12-10-8-6-4-2/h17-18H,3-16H2,1-2H3
InChI Key:
WAOUDPOLPWAIGN-UHFFFAOYSA-N
SMILES:
CCCCCCCCc1cscc1CCCCCCCC
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.254g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.568g/mol
Monoisotopic Mass:
308.254g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.7
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