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4825-75-6 | 3-Methylbenzo[d]isoxazole
CAS No: 4825-75-6 Catalog No: AG0033RB MDL No:MFCD03701200
Product Description
Catalog Number:
AG0033RB
Chemical Name:
3-Methylbenzo[d]isoxazole
CAS Number:
4825-75-6
Molecular Formula:
C8H7NO
Molecular Weight:
133.1473
MDL Number:
MFCD03701200
IUPAC Name:
3-methyl-1,2-benzoxazole
InChI:
InChI=1S/C8H7NO/c1-6-7-4-2-3-5-8(7)10-9-6/h2-5H,1H3
InChI Key:
GAUKCDPSYQUYQL-UHFFFAOYSA-N
SMILES:
Cc1noc2c1cccc2
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
133.053g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
133.15g/mol
Monoisotopic Mass:
133.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Determination and Validation of Zonisamide and its Four Related Substances by HPLC and UV-Spectrophotometry. | Indian journal of pharmaceutical sciences 20100101 |
| Determination of zonisamide by a coated monolithic column. | Journal of chromatography. A 20060616 |
| Theoretical and experimental design of atypical kinase inhibitors: application to p38 MAP kinase. | Journal of medicinal chemistry 20050908 |
| Gas phase ion chemistry of the heterocyclic isomers 3-methyl-1,2-benzisoxazole and 2-methyl-1,3-benzoxazole. | Journal of the American Society for Mass Spectrometry 20040701 |
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