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Home Carboxys 5-Oxo-1-p-tolyl-pyrrolidine-3-carboxylic acid

5-Oxo-1-p-tolyl-pyrrolidine-3-carboxylic acid

CAS No.:
133747-57-6
Catalog Number:
AG0080AJ
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$44
- +
5g
98%
In Stock USA
United States
$132
- +
10g
98%
In Stock USA
United States
$244
- +
25g
98%
In Stock USA
United States
$450
- +
100g
98%
In Stock USA
United States
$1225
- +
Product Description
Catalog Number:
AG0080AJ
Chemical Name:
5-Oxo-1-p-tolyl-pyrrolidine-3-carboxylic acid
CAS Number:
133747-57-6
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
MDL Number:
MFCD00716971
IUPAC Name:
1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C12H13NO3/c1-8-2-4-10(5-3-8)13-7-9(12(15)16)6-11(13)14/h2-5,9H,6-7H2,1H3,(H,15,16)
InChI Key:
LWBXWUBOAVLXAX-UHFFFAOYSA-N
SMILES:
OC(=O)C1CN(C(=O)C1)c1ccc(cc1)C
Properties
Complexity:
295  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.09g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
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