| CAS Number | 76835-64-8 |
| Catalog Number | AG008P3D(AGN-PC-0KNXJJ) |
| Chemical Name | Dodecanoic acid,3-oxo-, methyl ester |
| EC Number | 278-561-8 |
| IUPAC Name | methyl 3-oxododecanoate |
| InChI | InChI=1S/C13H24O3/c1-3-4-5-6-7-8-9-10-12(14)11-13(15)16-2/h3-11H2,1-2H3 |
| InChI Key | FHTQHJAYSZFNSI-UHFFFAOYSA-N |
| MDL Number | MFCD00086087 |
| Molecular Formula | C13H24O3 |
| Molecular Weight | 228.3279 |
| SMILES | O=C(CC(=O)OC)CCCCCCCCC |
| Synonyms | Methyl 3-oxododecanoate,
76835-64-8,
Dodecanoic acid,3-oxo-, methyl ester,
EINECS 278-561-8,
AC1MI70G,
AC1Q2VY2,
3-Oxolauric acid methyl ester,
SCHEMBL1123527,
CTK5E3492,
3-oxododecanoic acid methyl ester,
FHTQHJAYSZFNSI-UHFFFAOYSA-N,
AKOS028111684,
Dodecanoic acid, 3-oxo-, methyl ester,
C13-H24-O3,
CID3018684,
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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 | 4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number