| CAS Number | 83968-06-3 |
| Catalog Number | AG00G2DI(AGN-PC-00H17Z) |
| Chemical Name | Methyl 3-hydroxynonanoate |
| IUPAC Name | methyl 3-hydroxynonanoate |
| InChI | InChI=1S/C10H20O3/c1-3-4-5-6-7-9(11)8-10(12)13-2/h9,11H,3-8H2,1-2H3 |
| InChI Key | KHCQOQFCKCGHHU-UHFFFAOYSA-N |
| MDL Number | MFCD00673453 |
| Molecular Formula | C10H20O3 |
| Molecular Weight | 188.2640 |
| SMILES | OC(CC(=O)OC)CCCCCC |
| Synonyms | Methyl 3-hydroxynonanoate,
83968-06-3,
3-Hydroxynonanoic acid methyl ester,
methyl 3-hydroxy-nonanoate,
SCHEMBL7603091,
CTK6D7448,
28941-56-2,
KS-00002BH8,
AKOS006274771,
SS-4997,
Nonanoic acid, 3-hydroxy-, methyl ester,
methyl (3r)-3-hydroxynonanoate,
CID11830182,
|
| Complexity | 134 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.141g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.267g/mol |
| Monoisotopic Mass | 188.141g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number