| CAS Number | 57121-48-9 |
| Catalog Number | AG00ELNG(AGN-PC-0OCIAW) |
| Chemical Name | 5-Ethynyl-1h-imidazole |
| IUPAC Name | 5-ethynyl-1H-imidazole |
| InChI | InChI=1S/C5H4N2/c1-2-5-3-6-4-7-5/h1,3-4H,(H,6,7) |
| InChI Key | BJXDBXQZKWQSBV-UHFFFAOYSA-N |
| MDL Number | MFCD21336089 |
| Molecular Formula | C5H4N2 |
| Molecular Weight | 92.0987 |
| SMILES | C(#C)C1=CN=CN1 |
| Synonyms | 5-Ethynyl-1H-imidazole,
57121-48-9,
1H-Imidazole, 5-ethynyl-,
4-ethynyl-1H-imidazole,
MFCD21336089,
ZINC88189638,
AKOS006357270,
AKOS027254677,
F2147-3029,
|
| Complexity | 99.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 92.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 92.101g/mol |
| Monoisotopic Mass | 92.037g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number