| CAS Number | 944900-78-1 |
| Catalog Number | AG01C82T |
| Chemical Name | 5-Formyl-1-Methyl-1H-Imidazole-2-Carbonitrile |
| IUPAC Name | 5-formyl-1-methylimidazole-2-carbonitrile |
| InChI | InChI=1S/C6H5N3O/c1-9-5(4-10)3-8-6(9)2-7/h3-4H,1H3 |
| InChI Key | MJSCHMRRKXGSPD-UHFFFAOYSA-N |
| MDL Number | MFCD10696281 |
| Molecular Formula | C6H5N3O |
| Molecular Weight | 135.1234 |
| SMILES | N#CC1=NC=C(C=O)N1C |
| Synonyms | 5-FORMYL-1-METHYL-1H-IMIDAZOLE-2-CARBONITRILE,
944900-78-1,
ZINC95756665,
AKOS006305760,
AB56944,
SC-51547,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 135.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 135.126g/mol |
| Monoisotopic Mass | 135.043g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 58.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number