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300-87-8 | 3,5-Dimethylisoxazole
CAS No: 300-87-8 Catalog No: AG003IOZ MDL No:MFCD00003156
Product Description
Catalog Number:
AG003IOZ
Chemical Name:
3,5-Dimethylisoxazole
CAS Number:
300-87-8
Molecular Formula:
C5H7NO
Molecular Weight:
97.1152
MDL Number:
MFCD00003156
IUPAC Name:
3,5-dimethyl-1,2-oxazole
InChI:
InChI=1S/C5H7NO/c1-4-3-5(2)7-6-4/h3H,1-2H3
InChI Key:
FICAQKBMCKEFDI-UHFFFAOYSA-N
SMILES:
Cc1onc(c1)C
EC Number:
206-100-2
UNII:
JS7C0HP303
NSC Number:
40798
Properties
Complexity:
65.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
97.053g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
97.117g/mol
Monoisotopic Mass:
97.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| 3,5-dimethylisoxazoles act as acetyl-lysine-mimetic bromodomain ligands. | Journal of medicinal chemistry 20111013 |
| N-heterocyclic derivatives of 2,4-dihydroxybenzcarbothioamide as antimycotic agents. | Journal of agricultural and food chemistry 20011101 |
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