| CAS Number | 108293-08-9 |
| Catalog Number | AG007UVX(AGN-PC-00O5PH) |
| Chemical Name | Eicosanoic acid,2-octadecyl- |
| IUPAC Name | 2-octadecylicosanoic acid |
| InChI | InChI=1S/C38H76O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37(38(39)40)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3,(H,39,40) |
| InChI Key | RIQSWUKPKYYGQX-UHFFFAOYSA-N |
| MDL Number | MFCD03427449 |
| Molecular Formula | C38H76O2 |
| Molecular Weight | 565.0088 |
| SMILES | C(CCCCCCCCCCCCCCCCC)C(C(=O)O)CCCCCCCCCCCCCCCCCC |
| Synonyms | Eicosanoic acid,2-octadecyl-,
108293-08-9,
2-octadecylicosanoic acid,
2-OCTADECYLEICOSANOIC ACID,
ACMC-1C8FV,
2,2-bis-stearyl acetic acid,
SCHEMBL4599227,
CTK4A5972,
DTXSID70550683,
RIQSWUKPKYYGQX-UHFFFAOYSA-N,
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| Complexity | 438 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 564.585g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 40 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 565.024g/mol |
| Monoisotopic Mass | 564.585g/mol |
| Rotatable Bond Count | 35 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 18.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number