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14630-09-2 | Thieno[3,4-b]thiophene-2-carboxylic acid, methyl ester
CAS No: 14630-09-2 Catalog No: AG001DVH MDL No:MFCD28015646
Product Description
Catalog Number:
AG001DVH
Chemical Name:
Thieno[3,4-b]thiophene-2-carboxylic acid, methyl ester
CAS Number:
14630-09-2
Molecular Formula:
C8H6O2S2
Molecular Weight:
198.2620
MDL Number:
MFCD28015646
IUPAC Name:
methyl thieno[2,3-c]thiophene-2-carboxylate
InChI:
InChI=1S/C8H6O2S2/c1-10-8(9)6-2-5-3-11-4-7(5)12-6/h2-4H,1H3
InChI Key:
SZQBTRYNPBOBGC-UHFFFAOYSA-N
SMILES:
COC(=O)c1sc2c(c1)csc2
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:
2.8
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