| CAS Number | 950069-99-5 |
| Catalog Number | AG019L3D(AGN-PC-0WOA9R) |
| Chemical Name | 2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]acetonitrile |
| IUPAC Name | 2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]acetonitrile |
| InChI | InChI=1S/C12H10N2O/c1-9-2-4-10(5-3-9)12-14-11(6-7-13)8-15-12/h2-5,8H,6H2,1H3 |
| InChI Key | XWAODXJZIFRTER-UHFFFAOYSA-N |
| MDL Number | MFCD09802197 |
| Molecular Formula | C12H10N2O |
| Molecular Weight | 198.2206 |
| SMILES | CC1=CC=C(C2OC=C(CC#N)N=2)C=C1 |
| Synonyms | 2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]acetonitrile,
[2-(4-methylphenyl)-1,3-oxazol-4-yl]acetonitrile,
EN300-29693,
950069-99-5,
AC1Q2K5X,
CTK8F2395,
ZINC15583178,
AKOS026729379,
MCULE-1051265566,
NE50600,
Z235352017,
|
| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.225g/mol |
| Monoisotopic Mass | 198.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number