Home Sulfos 2-(pyrrolidine-1-sulfonyl)benzoic acid

2-(pyrrolidine-1-sulfonyl)benzoic acid

CAS No.:
893615-46-8
Catalog Number:
AG01A9AS
Molecular Formula:
C11H13NO4S
Molecular Weight:
255.2902
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Product Description
Catalog Number:
AG01A9AS
Chemical Name:
2-(pyrrolidine-1-sulfonyl)benzoic acid
CAS Number:
893615-46-8
Molecular Formula:
C11H13NO4S
Molecular Weight:
255.2902
IUPAC Name:
2-pyrrolidin-1-ylsulfonylbenzoic acid
InChI:
InChI=1S/C11H13NO4S/c13-11(14)9-5-1-2-6-10(9)17(15,16)12-7-3-4-8-12/h1-2,5-6H,3-4,7-8H2,(H,13,14)
InChI Key:
NDFOTPRGXQCUGJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1S(=O)(=O)N1CCCC1
Properties
Complexity:
381  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.057g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
255.288g/mol
Monoisotopic Mass:
255.057g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties