| CAS Number | 73170-89-5 |
| Catalog Number | AG01FNLB(AGN-PC-0OH8DM) |
| Chemical Name | (13Z)-13-Docosenenitrile |
| IUPAC Name | (Z)-docos-13-enenitrile |
| InChI | InChI=1S/C22H41N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h9-10H,2-8,11-21H2,1H3/b10-9- |
| InChI Key | WNVYKFYGFCBJSI-KTKRTIGZSA-N |
| MDL Number | MFCD32206182 |
| Molecular Formula | C22H41N |
| Molecular Weight | 319.5676 |
| SMILES | C(CCCCCCCCCCCC=C/CCCCCCCC)#N |
| Synonyms | 13-Docosenenitrile, (13Z)-,
73170-89-5,
eruconitrile,
(13Z)-13-Docosenenitrile,
SCHEMBL10523912,
(Z)-docos-13-enenitrile,
13-Docosenenitrile, (Z)-,
C22H41N,
C22-H41-N,
CID11023622,
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| Complexity | 284 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 319.324g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 319.577g/mol |
| Monoisotopic Mass | 319.324g/mol |
| Rotatable Bond Count | 18 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 9.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number