| CAS Number | 870-10-0 |
| Catalog Number | AG0036CZ(AGN-PC-0JSMP7) |
| Chemical Name | Octadecanoic acid, 10-oxo-, methyl ester |
| IUPAC Name | methyl 10-oxooctadecanoate |
| InChI | InChI=1S/C19H36O3/c1-3-4-5-6-9-12-15-18(20)16-13-10-7-8-11-14-17-19(21)22-2/h3-17H2,1-2H3 |
| InChI Key | YZQUPDATKHOMLU-UHFFFAOYSA-N |
| MDL Number | MFCD00192310 |
| Molecular Formula | C19H36O3 |
| Molecular Weight | 312.4873 |
| SMILES | CCCCCCCCC(=O)CCCCCCCCC(=O)OC |
| Synonyms | Methyl 10-ketostearate,
Methyl 10-oxooctadecanoate,
Octadecanoic acid, 10-oxo-, methyl ester,
METHYL10-OXOOCTADECANOATE,
870-10-0,
AC1LBWHM,
Methyl 10-oxostearate,
Methyl 10-oxooctadecanoate #,
SCHEMBL9579102,
CTK3C5954,
DTXSID90337599,
YZQUPDATKHOMLU-UHFFFAOYSA-N,
ZINC86037983,
ACM1842702,
MCULE-5431651592,
Methyl 9-oxooctadecanoate,
CID543603,
1842-70-2,
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| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 312.266g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 312.494g/mol |
| Monoisotopic Mass | 312.266g/mol |
| Rotatable Bond Count | 17 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.1 |
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Certificate of Analysis
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