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211360-98-4 | 4-Thiazolidinecarboxylic acid, 2-oxo-3-(phenylmethyl)-, methyl ester, (4R)-
CAS No: 211360-98-4 Catalog No: AG002LB7 MDL No:MFCD15071672
Product Description
Catalog Number:
AG002LB7
Chemical Name:
4-Thiazolidinecarboxylic acid, 2-oxo-3-(phenylmethyl)-, methyl ester, (4R)-
CAS Number:
211360-98-4
Molecular Formula:
C12H13NO3S
Molecular Weight:
251.3015
MDL Number:
MFCD15071672
IUPAC Name:
methyl (4R)-3-benzyl-2-oxo-1,3-thiazolidine-4-carboxylate
InChI:
InChI=1S/C12H13NO3S/c1-16-11(14)10-8-17-12(15)13(10)7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3/t10-/m0/s1
InChI Key:
ZXSGHRSGFYSWCM-JTQLQIEISA-N
SMILES:
COC(=O)[C@@H]1CSC(=O)N1Cc1ccccc1
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
251.062g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.3g/mol
Monoisotopic Mass:
251.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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