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1008003-22-2 | 4-(2,4-Dioxo-thiazolidin-5-ylamino)-benzoic acid
CAS No: 1008003-22-2 Catalog No: AG01F9ET MDL No:
Product Description
Catalog Number:
AG01F9ET
Chemical Name:
4-(2,4-Dioxo-thiazolidin-5-ylamino)-benzoic acid
CAS Number:
1008003-22-2
Molecular Formula:
C10H8N2O4S
Molecular Weight:
252.2465
IUPAC Name:
4-[(2,4-dioxo-1,3-thiazolidin-5-yl)amino]benzoic acid
InChI:
InChI=1S/C10H8N2O4S/c13-7-8(17-10(16)12-7)11-6-3-1-5(2-4-6)9(14)15/h1-4,8,11H,(H,14,15)(H,12,13,16)
InChI Key:
PKJVHKWXTFPAGI-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C(S1)Nc1ccc(cc1)C(=O)O
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.02g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
252.244g/mol
Monoisotopic Mass:
252.02g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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