| CAS Number: 668970-91-0 4-ethynyl-3,5-dimethylisoxazole |
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| General Information | ||||||
| Product Number: 668970910
CAS Registry Number: 668970-91-0
Name:
Isoxazole, 4-ethynyl-3,5-dimethyl-
Chemical Formula: C7H7NO
Exact Mass: 121.05
Molecular Weight: 121.14
m/z: 121.05 (100.0%), 122.06 (7.7%)
Elemental Analysis: C, 69.41; H, 5.82; N, 11.56; O, 13.21
InChI: InChI=1S/C7H7NO/c1-4-7-5(2)8-9-6(7)3/h1H,2-3H3
InChIKey: VRIFFHHNSRUZNX-UHFFFAOYSA-N
Canonical SMILES : CC1=C(C(=NO1)C)C#C
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Specification |
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98% |
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| References | ||||||
PCT Int. Appl. (2004), WO 2004018428 A1 20040304. Journal of Medicinal Chemistry (2013), 56(24), 10045-10065. |
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