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20969-37-3 | Thieno[2,3-b]thiophene-2-carboxylic acid, methyl ester
CAS No: 20969-37-3 Catalog No: AG002KCV MDL No:
Product Description
Catalog Number:
AG002KCV
Chemical Name:
Thieno[2,3-b]thiophene-2-carboxylic acid, methyl ester
CAS Number:
20969-37-3
Molecular Formula:
C8H6O2S2
Molecular Weight:
198.2620
IUPAC Name:
methyl thieno[2,3-b]thiophene-5-carboxylate
InChI:
InChI=1S/C8H6O2S2/c1-10-7(9)6-4-5-2-3-11-8(5)12-6/h2-4H,1H3
InChI Key:
ULHTUXSICGIKSS-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2c(s1)scc2
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.981g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.254g/mol
Monoisotopic Mass:
197.981g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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