3-Methyl-5-isoxazolecarbonitrile - CAS 65735-07-1
Catalog: |
BB032803 |
Product Name: |
3-Methyl-5-isoxazolecarbonitrile |
CAS: |
65735-07-1 |
Synonyms: |
3-methyl-1,2-oxazole-5-carbonitrile |
IUPAC Name: | 3-methyl-1,2-oxazole-5-carbonitrile |
Description: | 3-Methyl-5-isoxazolecarbonitrile (CAS# 65735-07-1) is a useful research chemical. |
Molecular Weight: | 108.10 |
Molecular Formula: | C5H4N2O |
Canonical SMILES: | CC1=NOC(=C1)C#N |
InChI: | InChI=1S/C5H4N2O/c1-4-2-5(3-6)8-7-4/h2H,1H3 |
InChI Key: | CWGHXEQLWFSUBS-UHFFFAOYSA-N |
MDL: | MFCD14702909 |
LogP: | 0.85468 |
Publication Number | Title | Priority Date |
WO-2011050160-A1 | Pharmaceuticals, compositions and methods of making and using the same | 20091022 |
US-2004023806-A1 | N-phenylcarbamates having a microbicide insecticide and acaricide effect | 19991206 |
US-4342771-A | Hypoglycemic 5-substituted oxazolidine-2,4-diones | 19810102 |
US-4431810-A | Intermediates for the preparation of 5-substituted oxazolidine-2,4-diones | 19810102 |
US-4689336-A | Hypoglycemic 5-substituted oxazolidine 2,4-diones | 19810102 |
Complexity: | 126 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 108.032362755 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 108.032362755 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 49.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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