Home Sulfos methyl 5-methanesulfonylfuran-2-carboxylate

methyl 5-methanesulfonylfuran-2-carboxylate

CAS No.:
1206969-62-1
Catalog Number:
AG00HFM4
Molecular Formula:
C7H8O5S
Molecular Weight:
204.2004
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Product Description
Catalog Number:
AG00HFM4
Chemical Name:
methyl 5-methanesulfonylfuran-2-carboxylate
CAS Number:
1206969-62-1
Molecular Formula:
C7H8O5S
Molecular Weight:
204.2004
MDL Number:
MFCD14585449
IUPAC Name:
methyl 5-methylsulfonylfuran-2-carboxylate
InChI:
InChI=1S/C7H8O5S/c1-11-7(8)5-3-4-6(12-5)13(2,9)10/h3-4H,1-2H3
InChI Key:
QCYIHBHVYVAVIH-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(o1)S(=O)(=O)C
Properties
Complexity:
289  
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:
0
Isotope Atom Count:
0
Molecular Weight:
204.196g/mol
Monoisotopic Mass:
204.009g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
82A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties