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189228-45-3 | 4-Thiazolidinecarboxylic acid, 3-methyl-2-phenyl-, ethyl ester, (4R)-
CAS No: 189228-45-3 Catalog No: AG002I3R MDL No:
Product Description
Catalog Number:
AG002I3R
Chemical Name:
4-Thiazolidinecarboxylic acid, 3-methyl-2-phenyl-, ethyl ester, (4R)-
CAS Number:
189228-45-3
Molecular Formula:
C13H17NO2S
Molecular Weight:
251.3446
IUPAC Name:
ethyl (4R)-3-methyl-2-phenyl-1,3-thiazolidine-4-carboxylate
InChI:
InChI=1S/C13H17NO2S/c1-3-16-13(15)11-9-17-12(14(11)2)10-7-5-4-6-8-10/h4-8,11-12H,3,9H2,1-2H3/t11-,12?/m0/s1
InChI Key:
XSZGFUBMNIOQNP-PXYINDEMSA-N
SMILES:
CCOC(=O)[C@@H]1CSC(N1C)c1ccccc1
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
251.098g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.344g/mol
Monoisotopic Mass:
251.098g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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