| CAS Number | 72630-13-8 |
| Catalog Number | AG0063GZ(AGN-PC-0JSBO2) |
| Chemical Name | Octanedioic acid, dihexyl ester |
| IUPAC Name | dihexyl octanedioate |
| InChI | InChI=1S/C20H38O4/c1-3-5-7-13-17-23-19(21)15-11-9-10-12-16-20(22)24-18-14-8-6-4-2/h3-18H2,1-2H3 |
| InChI Key | SZHOZZSBXPUVHJ-UHFFFAOYSA-N |
| MDL Number | MFCD32206210 |
| Molecular Formula | C20H38O4 |
| Molecular Weight | 342.5133 |
| SMILES | CCCCCCOC(=O)CCCCCCC(=O)OCCCCCC |
| Synonyms | Octanedioic acid, dihexyl ester,
Dihexyl suberate,
72630-13-8,
dihexyl octanedioate,
AC1LAZAK,
SCHEMBL2381652,
CTK2H2259,
DTXSID50335293,
SZHOZZSBXPUVHJ-UHFFFAOYSA-N,
OCTANEDIOIC ACID DIHEXYL ESTER,
CID524365,
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| Complexity | 272 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 342.277g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 342.52g/mol |
| Monoisotopic Mass | 342.277g/mol |
| Rotatable Bond Count | 19 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number