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21725-69-9 | 1,2-Benzisoxazol-3(2H)-one
CAS No: 21725-69-9 Catalog No: AG0034HV MDL No:MFCD00125030
Product Description
Catalog Number:
AG0034HV
Chemical Name:
1,2-Benzisoxazol-3(2H)-one
CAS Number:
21725-69-9
Molecular Formula:
C7H5NO2
Molecular Weight:
135.1201
MDL Number:
MFCD00125030
IUPAC Name:
1,2-benzoxazol-3-one
InChI:
InChI=1S/C7H5NO2/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9)
InChI Key:
QLDQYRDCPNBPII-UHFFFAOYSA-N
SMILES:
O=c1[nH]oc2c1cccc2
NSC Number:
683715
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.032g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
135.122g/mol
Monoisotopic Mass:
135.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Benzisoxazole analogs as glycogen synthase activators, a patent evaluation (WO2011057956). | Expert opinion on therapeutic patents 20120601 |
| The Therapeutic Potential of D-Amino Acid Oxidase (DAAO) Inhibitors. | The open medicinal chemistry journal 20100101 |
| Synthesis of the isoxazolo[4,3,2-de]phenanthridinone moiety of the parnafungins. | Organic letters 20090702 |
| Discovery and structure-activity relationships of a novel series of benzopyran-based K(ATP) openers for urge urinary incontinence. | Bioorganic & medicinal chemistry 20090115 |
| Synthesis and biological evaluation of D-amino acid oxidase inhibitors. | Journal of medicinal chemistry 20080626 |
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