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211235-81-3

211235-81-3 | Thiophene, 3,4-bis(hexyloxy)-

CAS No: 211235-81-3 Catalog No: AG002L8A MDL No:

Product Description

Catalog Number:
AG002L8A
Chemical Name:
Thiophene, 3,4-bis(hexyloxy)-
CAS Number:
211235-81-3
Molecular Formula:
C16H28O2S
Molecular Weight:
284.4573
IUPAC Name:
3,4-dihexoxythiophene
InChI:
InChI=1S/C16H28O2S/c1-3-5-7-9-11-17-15-13-19-14-16(15)18-12-10-8-6-4-2/h13-14H,3-12H2,1-2H3
InChI Key:
OMANTHZRUHGCNC-UHFFFAOYSA-N
SMILES:
CCCCCCOc1cscc1OCCCCCC

Properties

Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.181g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.458g/mol
Monoisotopic Mass:
284.181g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
46.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2  

Literature

Title Journal
Design and synthesis of push-pull chromophores for second-order nonlinear optics derived from rigidified thiophene-based pi-conjugating spacers. The Journal of organic chemistry 20020111

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