| CAS Number | 949980-44-3 |
| Catalog Number | AG019L40(AGN-PC-0WO4S5) |
| Chemical Name | 2-[2-(Thiophen-2-yl)-1,3-oxazol-4-yl]acetonitrile |
| IUPAC Name | 2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetonitrile |
| InChI | InChI=1S/C9H6N2OS/c10-4-3-7-6-12-9(11-7)8-2-1-5-13-8/h1-2,5-6H,3H2 |
| InChI Key | PKGUQPODFNOKNG-UHFFFAOYSA-N |
| MDL Number | MFCD09863289 |
| Molecular Formula | C9H6N2OS |
| Molecular Weight | 190.2217 |
| SMILES | N#CCC1N=C(C2SC=CC=2)OC=1 |
| Synonyms | 2-[2-(thiophen-2-yl)-1,3-oxazol-4-yl]acetonitrile,
949980-44-3,
(2-thien-2-yl-1,3-oxazol-4-yl)acetonitrile,
AC1Q4S1U,
CTK7C9840,
ZINC15589950,
AKOS023549244,
MCULE-5509895859,
NE14544,
EN300-29753,
Z228589636,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.22g/mol |
| Monoisotopic Mass | 190.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number