Home Sulfos 4-hydroxy-1-[4-(propan-2-yl)benzenesulfonyl]pyrrolidine-2-carboxylic acid

4-hydroxy-1-[4-(propan-2-yl)benzenesulfonyl]pyrrolidine-2-carboxylic acid

CAS No.:
1191109-76-8
Catalog Number:
AG01EKIW
Molecular Formula:
C14H19NO5S
Molecular Weight:
313.3694
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Product Description
Catalog Number:
AG01EKIW
Chemical Name:
4-hydroxy-1-[4-(propan-2-yl)benzenesulfonyl]pyrrolidine-2-carboxylic acid
CAS Number:
1191109-76-8
Molecular Formula:
C14H19NO5S
Molecular Weight:
313.3694
MDL Number:
MFCD13632724
IUPAC Name:
4-hydroxy-1-(4-propan-2-ylphenyl)sulfonylpyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C14H19NO5S/c1-9(2)10-3-5-12(6-4-10)21(19,20)15-8-11(16)7-13(15)14(17)18/h3-6,9,11,13,16H,7-8H2,1-2H3,(H,17,18)
InChI Key:
UJVHLUFDHZXNJW-UHFFFAOYSA-N
SMILES:
OC1CC(N(C1)S(=O)(=O)c1ccc(cc1)C(C)C)C(=O)O
Properties
Complexity:
476  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.098g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
313.368g/mol
Monoisotopic Mass:
313.098g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties