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195603-76-0 | Benzoic acid, 4-[(2,4-dioxo-5-thiazolidinyl)methyl]-
CAS No: 195603-76-0 Catalog No: AG007481 MDL No:
Product Description
Catalog Number:
AG007481
Chemical Name:
Benzoic acid, 4-[(2,4-dioxo-5-thiazolidinyl)methyl]-
CAS Number:
195603-76-0
Molecular Formula:
C11H9NO4S
Molecular Weight:
251.2585
IUPAC Name:
4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]benzoic acid
InChI:
InChI=1S/C11H9NO4S/c13-9-8(17-11(16)12-9)5-6-1-3-7(4-2-6)10(14)15/h1-4,8H,5H2,(H,14,15)(H,12,13,16)
InChI Key:
FRBRUKMTQQUPMD-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C(S1)Cc1ccc(cc1)C(=O)O
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.025g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
251.256g/mol
Monoisotopic Mass:
251.025g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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