| CAS Number | 4320-93-8 |
| Catalog Number | AG00DIHU(AGN-PC-0WO8XN) |
| Chemical Name | 3-(2H-1,2,3-triazol-2-yl)propanenitrile |
| IUPAC Name | 3-(triazol-2-yl)propanenitrile |
| InChI | InChI=1S/C5H6N4/c6-2-1-5-9-7-3-4-8-9/h3-4H,1,5H2 |
| InChI Key | IHKCPSCMGQIIOH-UHFFFAOYSA-N |
| MDL Number | MFCD09040577 |
| Molecular Formula | C5H6N4 |
| Molecular Weight | 122.1279 |
| SMILES | N#CCCN1N=CC=N1 |
| Synonyms | 3-(2H-1,2,3-triazol-2-yl)propanenitrile,
4320-93-8,
3-[1,2,3]Triazol-2-yl-propionitrile,
AC1Q4SCI,
CTK4I7178,
DTXSID80585461,
MFCD09040577,
ZINC12505453,
AKOS008093186,
MCULE-2732253989,
NE48604,
AS-40261,
EN300-27315,
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| Complexity | 118 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 122.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 122.131g/mol |
| Monoisotopic Mass | 122.059g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number