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1624261-82-0 | Thieno[2,3-b]thiophene-2-carboxylic acid, 5-(4-methoxyphenyl)-, methyl ester
CAS No: 1624261-82-0 Catalog No: AG001T4G MDL No:
Product Description
Catalog Number:
AG001T4G
Chemical Name:
Thieno[2,3-b]thiophene-2-carboxylic acid, 5-(4-methoxyphenyl)-, methyl ester
CAS Number:
1624261-82-0
Molecular Formula:
C15H12O3S2
Molecular Weight:
304.3840
IUPAC Name:
methyl 2-(4-methoxyphenyl)thieno[2,3-b]thiophene-5-carboxylate
InChI:
InChI=1S/C15H12O3S2/c1-17-11-5-3-9(4-6-11)12-7-10-8-13(14(16)18-2)20-15(10)19-12/h3-8H,1-2H3
InChI Key:
QPHKIWIXXNXEPR-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1sc2c(c1)cc(s2)C(=O)OC
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.023g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.378g/mol
Monoisotopic Mass:
304.023g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
92A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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