| CAS Number | 15498-31-4 |
| Catalog Number | AG001NJ5(AGN-PC-0JLVE9) |
| Chemical Name | 1,4-Dioxecane-5,10-dione |
| EC Number | 239-527-8 |
| IUPAC Name | 1,4-dioxecane-5,10-dione |
| InChI | InChI=1S/C8H12O4/c9-7-3-1-2-4-8(10)12-6-5-11-7/h1-6H2 |
| InChI Key | PAALZGOZEUHCET-UHFFFAOYSA-N |
| MDL Number | MFCD00046967 |
| Molecular Formula | C8H12O4 |
| Molecular Weight | 172.1785 |
| SMILES | O1CCOC(CCCCC1=O)=O |
| Synonyms | 1,4-Dioxecane-5,10-dione,
15498-31-4,
EINECS 239-527-8,
ethylene adipate,
AC1Q6ENP,
AC1Q6HT3,
AC1L38I9,
SCHEMBL1162730,
CTK0I4313,
DTXSID40165763,
ZINC5188439,
MFCD00046967,
AKOS006274585,
Ethylene glycol adipate,
KST-1B0724,
CID84948,
AR-1B7867,
C8-H12-O4,
15757-49-0,
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| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.18g/mol |
| Monoisotopic Mass | 172.074g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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Certificate of Analysis
Lot Number