| CAS Number | 151333-45-8 |
| Catalog Number | AG01E29Y(AGN-PC-0WP0M8) |
| Chemical Name | Oleic acid alkyne |
| IUPAC Name | (Z)-octadec-9-en-17-ynoic acid |
| InChI | InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h1,9-10H,3-8,11-17H2,(H,19,20)/b10-9- |
| InChI Key | GUWNXWGQBCLLBN-KTKRTIGZSA-N |
| MDL Number | MFCD26643720 |
| Molecular Formula | C18H30O2 |
| Molecular Weight | 278.4296 |
| SMILES | C#CCCCCCC/C=CCCCCCCCC(O)=O |
| Synonyms | OleicAcidAlkyne,
SCHEMBL8071166,
ZINC90628244,
151333-45-8,
|
| Complexity | 296 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 278.225g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.436g/mol |
| Monoisotopic Mass | 278.225g/mol |
| Rotatable Bond Count | 14 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number