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100704-38-9 | 2-Thiophenecarboxylic acid, 4-(methylsulfonyl)-
CAS No: 100704-38-9 Catalog No: AG0002OY MDL No:MFCD23144118
Product Description
Catalog Number:
AG0002OY
Chemical Name:
2-Thiophenecarboxylic acid, 4-(methylsulfonyl)-
CAS Number:
100704-38-9
Molecular Formula:
C6H6O4S2
Molecular Weight:
206.2394
MDL Number:
MFCD23144118
IUPAC Name:
4-methylsulfonylthiophene-2-carboxylic acid
InChI:
InChI=1S/C6H6O4S2/c1-12(9,10)4-2-5(6(7)8)11-3-4/h2-3H,1H3,(H,7,8)
InChI Key:
YCQZXJWBSJMXJG-UHFFFAOYSA-N
SMILES:
OC(=O)c1scc(c1)S(=O)(=O)C
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.971g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.23g/mol
Monoisotopic Mass:
205.971g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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