Home Sulfos 3-Furancarboxylic acid, 2-methyl-5-(1-pyrrolidinylsulfonyl)-

3-Furancarboxylic acid, 2-methyl-5-(1-pyrrolidinylsulfonyl)-

CAS No.:
306936-43-6
Catalog Number:
AG0030XP
Molecular Formula:
C10H13NO5S
Molecular Weight:
259.2789
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Product Description
Catalog Number:
AG0030XP
Chemical Name:
3-Furancarboxylic acid, 2-methyl-5-(1-pyrrolidinylsulfonyl)-
CAS Number:
306936-43-6
Molecular Formula:
C10H13NO5S
Molecular Weight:
259.2789
MDL Number:
MFCD02180785
IUPAC Name:
2-methyl-5-pyrrolidin-1-ylsulfonylfuran-3-carboxylic acid
InChI:
InChI=1S/C10H13NO5S/c1-7-8(10(12)13)6-9(16-7)17(14,15)11-4-2-3-5-11/h6H,2-5H2,1H3,(H,12,13)
InChI Key:
QOGZFCGDYUTGTO-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(oc1C)S(=O)(=O)N1CCCC1
Properties
Complexity:
395  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.051g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
259.276g/mol
Monoisotopic Mass:
259.051g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties