| CAS Number | 79050-23-0 |
| Catalog Number | AG01E5BK(AGN-PC-0UE3ZI) |
| Chemical Name | Linoleic acid-d4 |
| IUPAC Name | (9Z,12Z)-9,10,12,13-tetradeuteriooctadeca-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-/i6D,7D,9D,10D |
| InChI Key | OYHQOLUKZRVURQ-GPTDOFLBSA-N |
| MDL Number | MFCD00216035 |
| Molecular Formula | C18H28D4O2 |
| Molecular Weight | 284.4701 |
| SMILES | CCCCC/C([2H])=C([2H])C/C([2H])=C([2H])CCCCCCCC(O)=O |
| Synonyms | Linoleic Acid-d4,
79050-23-0,
LinoleicAcid-d4,
9Z,12Z-octadecadienoic acid(d4),
Linoleic acid(d4),
LMFA01030809,
LINOLEIC-9,10,12,13-D4 ACID,
9Z,12Z-OCTADECADIENOIC-9,10,12,13-D4ACID,
9Z,12Z-OCTADECADIENOIC-9,10,12,13-D4 ACID,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Exact Mass | 284.265g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 4 |
| Molecular Weight | 284.476g/mol |
| Monoisotopic Mass | 284.265g/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