| CAS Number | 76835-66-0 |
| Catalog Number | AG00IXMX(AGN-PC-0OHW8F) |
| Chemical Name | methyl (3R)-3-hydroxydodecanoate |
| IUPAC Name | methyl (3R)-3-hydroxydodecanoate |
| InChI | InChI=1S/C13H26O3/c1-3-4-5-6-7-8-9-10-12(14)11-13(15)16-2/h12,14H,3-11H2,1-2H3/t12-/m1/s1 |
| InChI Key | OZXCINYANGIBDB-GFCCVEGCSA-N |
| MDL Number | MFCD30833927 |
| Molecular Formula | C13H26O3 |
| Molecular Weight | 230.3437 |
| SMILES | CCCCCCCCC[C@H](CC(=O)OC)O |
| Synonyms | methyl (3r)-3-hydroxydodecanoate,
76835-66-0,
KS-00002BHB,
ZINC85845718,
SS-5100,
(R)-3-Hydroxydodecaneoic acid methyl ester,
Methyl 3-hydroxydodecanoate,
CID10922333,
|
| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.188g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.348g/mol |
| Monoisotopic Mass | 230.188g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number