| CAS Number | 121604-59-9 |
| Catalog Number | AG01B77C |
| Chemical Name | 3-Cyclopropyl-1,2-oxazole-5-carbaldehyde |
| IUPAC Name | 3-cyclopropyl-1,2-oxazole-5-carbaldehyde |
| InChI | InChI=1S/C7H7NO2/c9-4-6-3-7(8-10-6)5-1-2-5/h3-5H,1-2H2 |
| InChI Key | LDYFMMYDQAHUGR-UHFFFAOYSA-N |
| MDL Number | MFCD22071246 |
| Molecular Formula | C7H7NO2 |
| Molecular Weight | 137.1360 |
| SMILES | O=Cc1onc(c1)C1CC1 |
| Synonyms | 3-cyclopropyl-1,2-oxazole-5-carbaldehyde,
121604-59-9,
SCHEMBL19885994,
ZINC82410844,
|
| Complexity | 145 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 137.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 137.138g/mol |
| Monoisotopic Mass | 137.048g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
Lot Number