| CAS Number | 47132-19-4 |
| Catalog Number | AG0071LR(AGN-PC-0RUYCO) |
| Chemical Name | (cis-9)-2-Hydroxy-octadecen-17-ynoic Acid |
| IUPAC Name | 2-hydroxyoctadec-9-en-17-ynoic acid |
| InChI | InChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h1,9-10,17,19H,3-8,11-16H2,(H,20,21) |
| InChI Key | LQQRDGQTNVSFHM-UHFFFAOYSA-N |
| MDL Number | MFCD00069315 |
| Molecular Formula | C19H21NO |
| Molecular Weight | 279.3761 |
| SMILES | CNCC/C=C1C2=CC=CC=C2C(CC3=CC=CC=C31)O |
| Synonyms | (cis-9)-2-Hydroxy-octadecen-17-ynoic Acid,
47132-19-4,
CTK8F1966,
AKOS030242123,
FT-0669915,
FT-0669917,
(cis-9)-2-Hydroxyoctadecen-17-ynoic Acid,
1159977-43-1,
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| Complexity | 325 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 294.219495g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.4g/mol |
| Monoisotopic Mass | 294.219495g/mol |
| Rotatable Bond Count | 14 |
| Topological Polar Surface Area | 57.5Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 5.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number