| CAS Number | 374553-32-9 |
| Catalog Number | AG01DZA6(AGN-PC-3H45E3) |
| Chemical Name | 2-(Propan-2-yl)-1,3-oxazole |
| IUPAC Name | 2-propan-2-yl-1,3-oxazole |
| InChI | InChI=1S/C6H9NO/c1-5(2)6-7-3-4-8-6/h3-5H,1-2H3 |
| InChI Key | LCIOLMRKUOHMSW-UHFFFAOYSA-N |
| MDL Number | MFCD19347074 |
| Molecular Formula | C6H9NO |
| Molecular Weight | 111.1418 |
| SMILES | CC(C1OC=CN=1)C |
| Synonyms | 374553-32-9,
2-(Propan-2-yl)-1,3-oxazole,
2-isopropyloxazole,
SCHEMBL682658,
Oxazole, 2-(1-methylethyl)-,
ZINC58517467,
|
| Complexity | 72.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 111.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 111.144g/mol |
| Monoisotopic Mass | 111.068g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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