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25388-20-9 | Isoxazole, 3-methyl-4-phenyl- (7CI,8CI,9CI)
CAS No: 25388-20-9 Catalog No: AG00BUYW MDL No:
Product Description
Catalog Number:
AG00BUYW
Chemical Name:
Isoxazole, 3-methyl-4-phenyl- (7CI,8CI,9CI)
CAS Number:
25388-20-9
IUPAC Name:
3-methyl-4-phenyl-1,2-oxazole
InChI:
InChI=1S/C10H9NO/c1-8-10(7-12-11-8)9-5-3-2-4-6-9/h2-7H,1H3
InChI Key:
HTSGAODELQKLKY-UHFFFAOYSA-N
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.068g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.188g/mol
Monoisotopic Mass:
159.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Novel bioactivation mechanism of reactive metabolite formation from phenyl methyl-isoxazoles. | Drug metabolism and disposition: the biological fate of chemicals 20121101 |
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