| CAS Number | 1485710-88-0 |
| Catalog Number | AG01C3AR |
| Chemical Name | 1,2,5-Oxadiazole-3-carbaldehyde |
| IUPAC Name | 1,2,5-oxadiazole-3-carbaldehyde |
| InChI | InChI=1S/C3H2N2O2/c6-2-3-1-4-7-5-3/h1-2H |
| InChI Key | FVPKJLUCXSTBSP-UHFFFAOYSA-N |
| MDL Number | MFCD29060390 |
| Molecular Formula | C3H2N2O2 |
| Molecular Weight | 98.0602 |
| SMILES | O=CC1=NON=C1 |
| Synonyms | 1,2,5-oxadiazole-3-carbaldehyde,
1485710-88-0,
ZINC82411891,
AKOS022719767,
CS-0080395,
|
| Complexity | 75.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 98.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 98.061g/mol |
| Monoisotopic Mass | 98.012g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 56A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
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Certificate of Analysis
Lot Number