| CAS Number | 150024-70-7 |
| Catalog Number | AG00AORO(AGN-PC-002B3X) |
| Chemical Name | METHYL 3-HYDROXYTRIDECANOATE |
| IUPAC Name | methyl (3R)-3-hydroxytridecanoate |
| InChI | InChI=1S/C14H28O3/c1-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17-2/h13,15H,3-12H2,1-2H3/t13-/m1/s1 |
| InChI Key | MBIWBGYNTOAAKH-CYBMUJFWSA-N |
| MDL Number | MFCD00673455 |
| Molecular Formula | C14H28O3 |
| Molecular Weight | 244.3703 |
| SMILES | O=C(CC(O)CCCCCCCCCC)OC |
| Synonyms | (R)-methyl 3-hydroxytridecanoate,
150024-70-7,
ZINC100501509,
Methyl (3R)-3-hydroxytridecanoate,
CID10243563,
|
| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.204g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.375g/mol |
| Monoisotopic Mass | 244.204g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number