Home Sulfos 1-(3,4-dimethylbenzenesulfonyl)-4-hydroxypyrrolidine-2-carboxylic acid

1-(3,4-dimethylbenzenesulfonyl)-4-hydroxypyrrolidine-2-carboxylic acid

CAS No.:
1009244-02-3
Catalog Number:
AG019JAE
Molecular Formula:
C13H17NO5S
Molecular Weight:
299.3428
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Product Description
Catalog Number:
AG019JAE
Chemical Name:
1-(3,4-dimethylbenzenesulfonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CAS Number:
1009244-02-3
Molecular Formula:
C13H17NO5S
Molecular Weight:
299.3428
MDL Number:
MFCD05264078
IUPAC Name:
1-(3,4-dimethylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C13H17NO5S/c1-8-3-4-11(5-9(8)2)20(18,19)14-7-10(15)6-12(14)13(16)17/h3-5,10,12,15H,6-7H2,1-2H3,(H,16,17)
InChI Key:
HEYLUDCGZDIEQI-UHFFFAOYSA-N
SMILES:
OC1CC(N(C1)S(=O)(=O)c1ccc(c(c1)C)C)C(=O)O
Properties
Complexity:
472  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.083g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
299.341g/mol
Monoisotopic Mass:
299.083g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties