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5305-00-0 | 3,5-Isoxazolidinedione,2-phenyl-
CAS No: 5305-00-0 Catalog No: AG006TTH MDL No:
Product Description
Catalog Number:
AG006TTH
Chemical Name:
3,5-Isoxazolidinedione,2-phenyl-
CAS Number:
5305-00-0
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
IUPAC Name:
2-phenyl-1,2-oxazolidine-3,5-dione
InChI:
InChI=1S/C9H7NO3/c11-8-6-9(12)13-10(8)7-4-2-1-3-5-7/h1-5H,6H2
InChI Key:
KCDSBPHPBGFCGE-UHFFFAOYSA-N
SMILES:
O=C1CC(=O)ON1c1ccccc1
NSC Number:
157424
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.043g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.159g/mol
Monoisotopic Mass:
177.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| Mechanism of action of pyridazine analogues on protein tyrosine phosphatase 1B (PTP1B). | Bioorganic & medicinal chemistry letters 20040223 |
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