Home Sulfos 5-methanesulfonylfuran-2-carboxylic acid

5-methanesulfonylfuran-2-carboxylic acid

CAS No.:
23423-91-8
Catalog Number:
AG01AHGF
Molecular Formula:
C6H6O5S
Molecular Weight:
190.1738
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Product Description
Catalog Number:
AG01AHGF
Chemical Name:
5-methanesulfonylfuran-2-carboxylic acid
CAS Number:
23423-91-8
Molecular Formula:
C6H6O5S
Molecular Weight:
190.1738
MDL Number:
MFCD18838683
IUPAC Name:
5-methylsulfonylfuran-2-carboxylic acid
InChI:
InChI=1S/C6H6O5S/c1-12(9,10)5-3-2-4(11-5)6(7)8/h2-3H,1H3,(H,7,8)
InChI Key:
ZREDSSGHFVMCQP-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(o1)S(=O)(=O)C
Properties
Complexity:
275  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.994g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
190.169g/mol
Monoisotopic Mass:
189.994g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
93A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties