| CAS Number | 98353-71-0 |
| Catalog Number | AG01CC4M(AGN-PC-0W85KK) |
| Chemical Name | 9,12-Octadecadienoic-1-13C acid, (Z,Z)- |
| IUPAC Name | (9Z,12Z)-(113C)octadeca-9,12-dienoic acid |
| InChI | InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-/i18+1 |
| InChI Key | OYHQOLUKZRVURQ-LKLZSCEKSA-N |
| MDL Number | MFCD00270020 |
| Molecular Formula | C18H32O2 |
| Molecular Weight | 281.4381 |
| SMILES | CCCCC/C=CC/C=CCCCCCCC[13C](=O)O |
| Synonyms | Linoleic Acid-1-13C,
98353-71-0,
Linoleic Acid-1 13C,
LinoleicAcid-1-13C,
CS-T-57251,
(9Z,12Z)-octadeca-9,12-dienoic acid,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Exact Mass | 281.244g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 1 |
| Molecular Weight | 281.444g/mol |
| Monoisotopic Mass | 281.244g/mol |
| Rotatable Bond Count | 14 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number