Home Sulfos 1-{[5-(ethoxycarbonyl)furan-2-yl]sulfonyl}pyrrolidine-2-carboxylic acid

1-{[5-(ethoxycarbonyl)furan-2-yl]sulfonyl}pyrrolidine-2-carboxylic acid

CAS No.:
1241830-03-4
Catalog Number:
AG01EKJ9
Molecular Formula:
C12H15NO7S
Molecular Weight:
317.3150
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01EKJ9
Chemical Name:
1-{[5-(ethoxycarbonyl)furan-2-yl]sulfonyl}pyrrolidine-2-carboxylic acid
CAS Number:
1241830-03-4
Molecular Formula:
C12H15NO7S
Molecular Weight:
317.3150
MDL Number:
MFCD11099462
IUPAC Name:
1-(5-ethoxycarbonylfuran-2-yl)sulfonylpyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C12H15NO7S/c1-2-19-12(16)9-5-6-10(20-9)21(17,18)13-7-3-4-8(13)11(14)15/h5-6,8H,2-4,7H2,1H3,(H,14,15)
InChI Key:
LJXCLKXFEKHXCG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(o1)S(=O)(=O)N1CCCC1C(=O)O
Properties
Complexity:
512  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.057g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
317.312g/mol
Monoisotopic Mass:
317.057g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties