| CAS Number | 202817-15-0 |
| Catalog Number | AG00C22V(AGN-PC-08YY88) |
| Chemical Name | 2-Isopropyl-1,3-oxazole-4-carbaldehyde |
| IUPAC Name | 2-propan-2-yl-1,3-oxazole-4-carbaldehyde |
| InChI | InChI=1S/C7H9NO2/c1-5(2)7-8-6(3-9)4-10-7/h3-5H,1-2H3 |
| InChI Key | BGRKZZBBYVTFAJ-UHFFFAOYSA-N |
| MDL Number | MFCD16556114 |
| Molecular Formula | C7H9NO2 |
| Molecular Weight | 139.1519 |
| SMILES | N1C(C=O)=COC=1C(C)C |
| Synonyms | 202817-15-0,
2-Isopropyl-1,3-oxazole-4-carbaldehyde,
2-Isopropyloxazole-4-carbaldehyde,
2-(Propan-2-yl)-1,3-oxazole-4-carbaldehyde,
DTXSID80679758,
5073AH,
MFCD16556114,
ZINC49584873,
AKOS006333597,
AJ-111157,
4-Oxazolecarboxaldehyde, 2-(1-methylethyl)-,
Y-7665,
2-isopropyl-1,3-oxazole-4-carbaldehyde(SALTDATA,
2-Isopropyl-1,3-oxazole-4-carbaldehyde, AldrichCPR,
C7H9NO2,
|
| Complexity | 125 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 139.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 139.154g/mol |
| Monoisotopic Mass | 139.063g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number