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198991-77-4 | 4-Thiazolidinecarboxylic acid, 2-(4-methylphenyl)-, (4R)-
CAS No: 198991-77-4 Catalog No: AG002BUM MDL No:
Product Description
Catalog Number:
AG002BUM
Chemical Name:
4-Thiazolidinecarboxylic acid, 2-(4-methylphenyl)-, (4R)-
CAS Number:
198991-77-4
Molecular Formula:
C11H13NO2S
Molecular Weight:
223.2914
IUPAC Name:
(4R)-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylic acid
InChI:
InChI=1S/C11H13NO2S/c1-7-2-4-8(5-3-7)10-12-9(6-15-10)11(13)14/h2-5,9-10,12H,6H2,1H3,(H,13,14)/t9-,10?/m0/s1
InChI Key:
HTRWLFRKMUVNPG-RGURZIINSA-N
SMILES:
OC(=O)[C@@H]1CSC(N1)c1ccc(cc1)C
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
223.067g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
223.29g/mol
Monoisotopic Mass:
223.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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