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127761-77-7 | 4-Thiazolidinecarboxylic acid, 2-oxo-, methyl ester, (4R)-
CAS No: 127761-77-7 Catalog No: AG000XDF MDL No:
Product Description
Catalog Number:
AG000XDF
Chemical Name:
4-Thiazolidinecarboxylic acid, 2-oxo-, methyl ester, (4R)-
CAS Number:
127761-77-7
Molecular Formula:
C5H7NO3S
Molecular Weight:
161.1790
IUPAC Name:
methyl (4R)-2-oxo-1,3-thiazolidine-4-carboxylate
InChI:
InChI=1S/C5H7NO3S/c1-9-4(7)3-2-10-5(8)6-3/h3H,2H2,1H3,(H,6,8)/t3-/m0/s1
InChI Key:
CRXIPBHVCVSPLR-VKHMYHEASA-N
SMILES:
COC(=O)[C@@H]1CSC(=O)N1
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
161.015g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.175g/mol
Monoisotopic Mass:
161.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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