| CAS Number | 93892-06-9 |
| Catalog Number | AG005Z5D(AGN-PC-0KNZTM) |
| Chemical Name | Ethyl 8-hydroxyoctanoate |
| EC Number | 299-486-7 |
| IUPAC Name | ethyl 8-hydroxyoctanoate |
| InChI | InChI=1S/C10H20O3/c1-2-13-10(12)8-6-4-3-5-7-9-11/h11H,2-9H2,1H3 |
| InChI Key | DWFKLFYVEOSPAG-UHFFFAOYSA-N |
| MDL Number | MFCD03412488 |
| Molecular Formula | C10H20O3 |
| Molecular Weight | 188.2640 |
| SMILES | O=C(OCC)CCCCCCCO |
| Synonyms | Ethyl 8-hydroxyoctanoate,
93892-06-9,
EINECS 299-486-7,
AC1MIDQP,
SCHEMBL2559740,
CTK5H3702,
DTXSID50239828,
8-Hydroxycaprylic acid ethyl ester,
ZINC2530028,
AKOS006276966,
ethyl8-hydroxyoctanoate,
C10-H20-O3,
CID3022760,
Octanoic acid, 8-hydroxy-, ethyl ester,
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| Complexity | 123 |
| 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 | 9 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number