| CAS Number | 1247894-26-3 |
| Catalog Number | AG01BBW5 |
| Chemical Name | 1-(prop-2-yn-1-yl)-1H-imidazole-2-carbaldehyde |
| IUPAC Name | 1-prop-2-ynylimidazole-2-carbaldehyde |
| InChI | InChI=1S/C7H6N2O/c1-2-4-9-5-3-8-7(9)6-10/h1,3,5-6H,4H2 |
| InChI Key | AHOSJXZFHMJEHE-UHFFFAOYSA-N |
| MDL Number | MFCD16695424 |
| Molecular Formula | C7H6N2O |
| Molecular Weight | 134.1353 |
| SMILES | O=CC1N(CC#C)C=CN=1 |
| Synonyms | 1247894-26-3,
1-(prop-2-yn-1-yl)-1H-imidazole-2-carbaldehyde,
1H-Imidazole-2-carboxaldehyde, 1-(2-propyn-1-yl)-,
SCHEMBL16655286,
ZINC51003509,
AKOS011504736,
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 134.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 134.138g/mol |
| Monoisotopic Mass | 134.048g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number