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880088-84-6 | Thieno[3,2-b]thiophene-2-carboxylic acid, 3,6-dihexyl-
CAS No: 880088-84-6 Catalog No: AG004H0R MDL No:
Product Description
Catalog Number:
AG004H0R
Chemical Name:
Thieno[3,2-b]thiophene-2-carboxylic acid, 3,6-dihexyl-
CAS Number:
880088-84-6
Molecular Formula:
C19H28O2S2
Molecular Weight:
352.5544
IUPAC Name:
3,6-dihexylthieno[3,2-b]thiophene-5-carboxylic acid
InChI:
InChI=1S/C19H28O2S2/c1-3-5-7-9-11-14-13-22-17-15(12-10-8-6-4-2)18(19(20)21)23-16(14)17/h13H,3-12H2,1-2H3,(H,20,21)
InChI Key:
NXPHZUWYNVINKW-UHFFFAOYSA-N
SMILES:
CCCCCCc1csc2c1sc(c2CCCCCC)C(=O)O
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.153g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
352.551g/mol
Monoisotopic Mass:
352.153g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
93.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.5
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