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2092396-88-6 | 3-methanesulfonylthiophene-2-carbaldehyde
CAS No: 2092396-88-6 Catalog No: AG01DW7C MDL No:
Product Description
Catalog Number:
AG01DW7C
Chemical Name:
3-methanesulfonylthiophene-2-carbaldehyde
CAS Number:
2092396-88-6
Molecular Formula:
C6H6O3S2
Molecular Weight:
190.2400
IUPAC Name:
3-methylsulfonylthiophene-2-carbaldehyde
InChI:
InChI=1S/C6H6O3S2/c1-11(8,9)6-2-3-10-5(6)4-7/h2-4H,1H3
InChI Key:
LHVHEDLTQMUKFX-UHFFFAOYSA-N
SMILES:
O=Cc1sccc1S(=O)(=O)C
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.976g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.231g/mol
Monoisotopic Mass:
189.976g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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