| CAS Number | 13926-69-7 |
| Catalog Number | AG001AL3(AGN-PC-03DA4Q) |
| Chemical Name | 1,8-Dioxacyclotetradecane-2,7-dione |
| IUPAC Name | 1,8-dioxacyclotetradecane-2,7-dione |
| InChI | InChI=1S/C12H20O4/c13-11-7-3-4-8-12(14)16-10-6-2-1-5-9-15-11/h1-10H2 |
| InChI Key | RNQBCZCPNUHWLV-UHFFFAOYSA-N |
| MDL Number | MFCD32206229 |
| Molecular Formula | C12H20O4 |
| Molecular Weight | 228.2848 |
| SMILES | O1C(CCCCC(OCCCCCC1)=O)=O |
| Synonyms | 1,8-Dioxacyclotetradecane-2,7-dione,
13926-69-7,
hexamethylene adipate,
SCHEMBL189541,
Adipic acid hexamethylene ester,
CTK0F2508,
DTXSID10616398,
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| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.288g/mol |
| Monoisotopic Mass | 228.136g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number