| CAS Number | 36651-38-4 |
| Catalog Number | AG0037JR(AGN-PC-0JSKSB) |
| Chemical Name | Undecanoic acid, 10-oxo-, ethyl ester |
| IUPAC Name | ethyl 10-oxoundecanoate |
| InChI | InChI=1S/C13H24O3/c1-3-16-13(15)11-9-7-5-4-6-8-10-12(2)14/h3-11H2,1-2H3 |
| InChI Key | NRBJEWXKXBILDI-UHFFFAOYSA-N |
| MDL Number | MFCD26383816 |
| Molecular Formula | C13H24O3 |
| Molecular Weight | 228.3279 |
| SMILES | O=C(CCCCCCCCC(=O)OCC)C |
| Synonyms | Ethyl 10-oxoundecanoate,
Undecanoic acid, 10-oxo-, ethyl ester,
36651-38-4,
AC1LBPRJ,
Ethyl 10-oxoundecanoate #,
SCHEMBL6623769,
CTK1B6193,
DTXSID50337212,
NRBJEWXKXBILDI-UHFFFAOYSA-N,
10-Oxoundecanoic acid ethyl ester,
10-Oxoundecanoicacidethylester,
Undecanoicacid,10-oxo-,ethylester,
CID540088,
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| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.173g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.332g/mol |
| Monoisotopic Mass | 228.173g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number