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Home Sulfos 1-(Toluene-4-sulfonyl)-pyrrolidine-2-carboxylic acid

1-(Toluene-4-sulfonyl)-pyrrolidine-2-carboxylic acid

CAS No.:
51077-01-1
Catalog Number:
AG00D8ZS
Molecular Formula:
C12H15NO4S
Molecular Weight:
269.3168
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
≥ 99% (TLC)
1 week
United States
$67
- +
5g
≥ 99% (TLC)
1 week
United States
$111
- +
25g
≥ 99% (TLC)
1 week
United States
$330
- +
Product Description
Catalog Number:
AG00D8ZS
Chemical Name:
1-(Toluene-4-sulfonyl)-pyrrolidine-2-carboxylic acid
CAS Number:
51077-01-1
Molecular Formula:
C12H15NO4S
Molecular Weight:
269.3168
MDL Number:
MFCD00238392
IUPAC Name:
(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C12H15NO4S/c1-9-4-6-10(7-5-9)18(16,17)13-8-2-3-11(13)12(14)15/h4-7,11H,2-3,8H2,1H3,(H,14,15)/t11-/m0/s1
InChI Key:
CGPHGPCHVUSFFA-NSHDSACASA-N
SMILES:
OC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
406  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
269.072g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
269.315g/mol
Monoisotopic Mass:
269.072g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
Chiral organometallic triangles with Rh-Rh bonds. 2. Compounds prepared from enantiopure cis-Rh2(C6H4PPh2)2(OAc)2(HOAc)2 and their catalytic potentials. Inorganic chemistry 20051114
Properties