| CAS Number | 191545-08-1 |
| Catalog Number | AG00AXH5(AGN-PC-0O66DI) |
| Chemical Name | 12(Z),15(Z)-Heneicosadienoic Acid |
| IUPAC Name | (12Z,15Z)-henicosa-12,15-dienoic acid |
| InChI | InChI=1S/C21H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h6-7,9-10H,2-5,8,11-20H2,1H3,(H,22,23)/b7-6-,10-9- |
| InChI Key | TZOLQRQTGDCGPQ-HZJYTTRNSA-N |
| MDL Number | MFCD11114473 |
| Molecular Formula | C21H38O2 |
| Molecular Weight | 322.5252 |
| SMILES | CCCCC/C=CC/C=CCCCCCCCCCCC(O)=O |
| Synonyms | 12Z,15Z-heneicosadienoic acid,
CHEMBL1917280,
12-cis,15-cis-heneicosadienoic acid,
(12Z,15Z)-henicosa-12,15-dienoic acid,
AC1NSN04,
191545-08-1,
BDBM50357389,
LMFA01030399,
C21:2n-6,9,
CID5312548,
FA(21:2),
|
| Complexity | 305 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Exact Mass | 322.287g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 322.533g/mol |
| Monoisotopic Mass | 322.287g/mol |
| Rotatable Bond Count | 17 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 7.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number