| CAS Number | 112538-92-8 |
| Catalog Number | AG008VRA(AGN-PC-0NXXZG) |
| Chemical Name | 3-hydroxy Heptadecanoic Acid methyl ester |
| IUPAC Name | methyl 3-hydroxyheptadecanoate |
| InChI | InChI=1S/C18H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19)16-18(20)21-2/h17,19H,3-16H2,1-2H3 |
| InChI Key | OJTSKRLQHYPZAM-UHFFFAOYSA-N |
| MDL Number | MFCD02259075 |
| Molecular Formula | C18H36O3 |
| Molecular Weight | 300.4766 |
| SMILES | O=C(CC(O)CCCCCCCCCCCCCC)OC |
| Synonyms | 3-Hydroxyheptadecanoic acid methyl ester,
METHYL 3-HYDROXYHEPTADECANOATE,
112538-92-8,
SCHEMBL7599878,
CTK6D9393,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 300.266g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 300.483g/mol |
| Monoisotopic Mass | 300.266g/mol |
| Rotatable Bond Count | 16 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number