Home Sulfos 3-(Pyrrolidine-1-sulfonyl)-benzoic acid

3-(Pyrrolidine-1-sulfonyl)-benzoic acid

CAS No.:
7326-79-6
Catalog Number:
AG00FGW2
Molecular Formula:
C11H13NO4S
Molecular Weight:
255.2902
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$69
- +
5g
98%
In Stock USA
United States
$244
- +
10g
98%
In Stock USA
United States
$438
- +
25g
98%
In Stock USA
United States
$850
- +
Product Description
Catalog Number:
AG00FGW2
Chemical Name:
3-(Pyrrolidine-1-sulfonyl)-benzoic acid
CAS Number:
7326-79-6
Molecular Formula:
C11H13NO4S
Molecular Weight:
255.2902
MDL Number:
MFCD00814149
IUPAC Name:
3-pyrrolidin-1-ylsulfonylbenzoic acid
InChI:
InChI=1S/C11H13NO4S/c13-11(14)9-4-3-5-10(8-9)17(15,16)12-6-1-2-7-12/h3-5,8H,1-2,6-7H2,(H,13,14)
InChI Key:
UZMCSTKSVWZMJA-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)S(=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  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties