Home Sulfos 5-methanesulfonyl-2-methylfuran-3-carboxylic acid

5-methanesulfonyl-2-methylfuran-3-carboxylic acid

CAS No.:
1934412-32-4
Catalog Number:
AG01BUT2
Molecular Formula:
C7H8O5S
Molecular Weight:
204.2004
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Product Description
Catalog Number:
AG01BUT2
Chemical Name:
5-methanesulfonyl-2-methylfuran-3-carboxylic acid
CAS Number:
1934412-32-4
Molecular Formula:
C7H8O5S
Molecular Weight:
204.2004
MDL Number:
MFCD24499240
IUPAC Name:
2-methyl-5-methylsulfonylfuran-3-carboxylic acid
InChI:
InChI=1S/C7H8O5S/c1-4-5(7(8)9)3-6(12-4)13(2,10)11/h3H,1-2H3,(H,8,9)
InChI Key:
FUZCHUQNCAUEKX-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(oc1C)S(=O)(=O)C
Properties
Complexity:
301  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.009g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
204.196g/mol
Monoisotopic Mass:
204.009g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
93A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties