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89566-24-5 | 3(2H)-Isothiazolone, 4-hydroxy-5-phenyl-, 1,1-dioxide
CAS No: 89566-24-5 Catalog No: AG003Y8N MDL No:
Product Description
Catalog Number:
AG003Y8N
Chemical Name:
3(2H)-Isothiazolone, 4-hydroxy-5-phenyl-, 1,1-dioxide
CAS Number:
89566-24-5
Molecular Formula:
C9H7NO4S
Molecular Weight:
225.2212
IUPAC Name:
4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one
InChI:
InChI=1S/C9H7NO4S/c11-7-8(6-4-2-1-3-5-6)15(13,14)10-9(7)12/h1-5,11H,(H,10,12)
InChI Key:
APSZXPLAWLMADT-UHFFFAOYSA-N
SMILES:
OC1=C(c2ccccc2)S(=O)(=O)NC1=O
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.01g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
225.218g/mol
Monoisotopic Mass:
225.01g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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