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85258-81-7 | 4-(2,4-dioxo-1,3-thiazolidin-5-yl)benzoic acid
CAS No: 85258-81-7 Catalog No: AG01E1XO MDL No:
Product Description
Catalog Number:
AG01E1XO
Chemical Name:
4-(2,4-dioxo-1,3-thiazolidin-5-yl)benzoic acid
CAS Number:
85258-81-7
Molecular Formula:
C10H7NO4S
Molecular Weight:
237.2319
IUPAC Name:
4-(2,4-dioxo-1,3-thiazolidin-5-yl)benzoic acid
InChI:
InChI=1S/C10H7NO4S/c12-8-7(16-10(15)11-8)5-1-3-6(4-2-5)9(13)14/h1-4,7H,(H,13,14)(H,11,12,15)
InChI Key:
XXQLSIIKOZWCLG-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C(S1)c1ccc(cc1)C(=O)O
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.01g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237.229g/mol
Monoisotopic Mass:
237.01g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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