| CAS Number | 62872-44-0 |
| Catalog Number | AG003DAO(AGN-PC-0WG3KB) |
| Chemical Name | 1,2,3-PRopanetricarbonitrile |
| IUPAC Name | propane-1,2,3-tricarbonitrile |
| InChI | InChI=1S/C6H5N3/c7-3-1-6(5-9)2-4-8/h6H,1-2H2 |
| InChI Key | MNAMONWYCZEPTE-UHFFFAOYSA-N |
| MDL Number | MFCD09038541 |
| Molecular Formula | C6H5N3 |
| Molecular Weight | 119.1240 |
| SMILES | N#CCC(C#N)CC#N |
| Synonyms | 1,2,3-Propanetricarbonitrile,
62872-44-0,
propane-1,2,3-tricarbonitrile,
3-Cyanopentanedinitrile,
ACMC-209n9k,
SCHEMBL68459,
CTK2B1105,
DTXSID30611608,
ANW-34422,
MFCD09038541,
ZINC14679823,
AKOS015837547,
TR-021638,
P1630,
I14-57705,
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| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 119.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 119.127g/mol |
| Monoisotopic Mass | 119.048g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 71.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number