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114199-22-3 | 2-Thiazolidinecarboxylic acid, 3-benzoyl-
CAS No: 114199-22-3 Catalog No: AG000ASH MDL No:
Product Description
Catalog Number:
AG000ASH
Chemical Name:
2-Thiazolidinecarboxylic acid, 3-benzoyl-
CAS Number:
114199-22-3
Molecular Formula:
C11H11NO3S
Molecular Weight:
237.2749
IUPAC Name:
3-benzoyl-1,3-thiazolidine-2-carboxylic acid
InChI:
InChI=1S/C11H11NO3S/c13-9(8-4-2-1-3-5-8)12-6-7-16-10(12)11(14)15/h1-5,10H,6-7H2,(H,14,15)
InChI Key:
MJTVVARFPCSOGI-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)N1CCSC1C(=O)O
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.046g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.273g/mol
Monoisotopic Mass:
237.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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