| CAS Number | 5129-58-8 |
| Catalog Number | AG00DEE3(AGN-PC-0JKFQP) |
| Chemical Name | 12-methyl Tridecanoic Acid methyl ester |
| IUPAC Name | methyl 12-methyltridecanoate |
| InChI | InChI=1S/C15H30O2/c1-14(2)12-10-8-6-4-5-7-9-11-13-15(16)17-3/h14H,4-13H2,1-3H3 |
| InChI Key | FLESKWMKPOBWDE-UHFFFAOYSA-N |
| MDL Number | MFCD00083436 |
| Molecular Formula | C15H30O2 |
| Molecular Weight | 242.3975 |
| SMILES | CC(C)CCCCCCCCCCC(OC)=O |
| UNII | B508508OUJ |
| Synonyms | Methyl 12-methyltridecanoate,
Methyl isomyristate,
5129-58-8,
UNII-B508508OUJ,
12-Methyltridecanoic acid methyl ester,
Tridecanoic acid, 12-methyl-, methyl ester,
B508508OUJ,
AC1L2HU8,
Methyl 12-methyltrifdecanoate,
SCHEMBL1369741,
CTK8I9587,
DTXSID20199288,
FLESKWMKPOBWDE-UHFFFAOYSA-N,
ZINC2037401,
ACM5129588,
CJ-32063,
FT-0767128,
C-55247,
CID21204,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.225g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.403g/mol |
| Monoisotopic Mass | 242.225g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number