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36238-83-2 | 7-Methylbenzo[d]isoxazol-3(2H);-one
CAS No: 36238-83-2 Catalog No: AG007ABU MDL No:MFCD20526307
Product Description
Catalog Number:
AG007ABU
Chemical Name:
7-Methylbenzo[d]isoxazol-3(2H);-one
CAS Number:
36238-83-2
Molecular Formula:
C8H7NO2
Molecular Weight:
149.1467
MDL Number:
MFCD20526307
IUPAC Name:
7-methyl-1,2-benzoxazol-3-one
InChI:
InChI=1S/C8H7NO2/c1-5-3-2-4-6-7(5)11-9-8(6)10/h2-4H,1H3,(H,9,10)
InChI Key:
JUNCQBPTXAQOSA-UHFFFAOYSA-N
SMILES:
Cc1cccc2c1o[nH]c2=O
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.048g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
149.149g/mol
Monoisotopic Mass:
149.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Synthesis and biological evaluation of D-amino acid oxidase inhibitors. | Journal of medicinal chemistry 20080626 |
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