| CAS Number | 129758-71-0 |
| Catalog Number | AG009E04(AGN-PC-000RNC) |
| Chemical Name | Methyl 3-hydroxyundecanoate |
| IUPAC Name | methyl 3-hydroxyundecanoate |
| InChI | InChI=1S/C12H24O3/c1-3-4-5-6-7-8-9-11(13)10-12(14)15-2/h11,13H,3-10H2,1-2H3 |
| InChI Key | ODWHGFYACOPLGF-UHFFFAOYSA-N |
| MDL Number | MFCD00673454 |
| Molecular Formula | C12H24O3 |
| Molecular Weight | 216.3172 |
| SMILES | O=C(OC)CC(O)CCCCCCCC |
| Synonyms | Methyl 3-hydroxyundecanoate,
3-Hydroxyundecanoic acid methyl ester,
129758-71-0,
127593-21-9,
ACMC-20msh5,
Undecanoic acid, 3-hydroxy-, methyl ester, (3R)-,
AC1LC2N8,
Methyl 3-hydroxyundecanoate #,
SCHEMBL7600026,
CTK6D8069,
ODWHGFYACOPLGF-UHFFFAOYSA-N,
Undecanoic acid, 3-hydroxy-, methyl ester,
CID568482,
127519-14-6,
|
| Complexity | 157 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.173g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.321g/mol |
| Monoisotopic Mass | 216.173g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number