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Home Carboxys N-Tosyl-3-pyrrolecarboxylic acid

N-Tosyl-3-pyrrolecarboxylic acid

CAS No.:
106058-86-0
Catalog Number:
AG003TDW
Molecular Formula:
C12H11NO4S
Molecular Weight:
265.2850
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$19
- +
5g
96%
In Stock USA
United States
$50
- +
25g
96%
In Stock USA
United States
$175
- +
100g
96%
In Stock USA
United States
$450
- +
Product Description
Catalog Number:
AG003TDW
Chemical Name:
N-Tosyl-3-pyrrolecarboxylic acid
CAS Number:
106058-86-0
Molecular Formula:
C12H11NO4S
Molecular Weight:
265.2850
MDL Number:
MFCD00145013
IUPAC Name:
1-(4-methylphenyl)sulfonylpyrrole-3-carboxylic acid
InChI:
InChI=1S/C12H11NO4S/c1-9-2-4-11(5-3-9)18(16,17)13-7-6-10(8-13)12(14)15/h2-8H,1H3,(H,14,15)
InChI Key:
UYHPMGMXSFLPOF-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)n1ccc(c1)C(=O)O
Properties
Complexity:
406  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.041g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
265.283g/mol
Monoisotopic Mass:
265.041g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
84.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties