| CAS Number | 54885-06-2 |
| Catalog Number | AG01AFYF(AGN-PC-00MJ9D) |
| Chemical Name | 3,8-Dioxabicyclo[3.2.1]octane-2,4-dione |
| IUPAC Name | 3,8-dioxabicyclo[3.2.1]octane-2,4-dione |
| InChI | InChI=1S/C6H6O4/c7-5-3-1-2-4(9-3)6(8)10-5/h3-4H,1-2H2 |
| InChI Key | BGKUPEWYMBTCJC-UHFFFAOYSA-N |
| MDL Number | MFCD27959371 |
| Molecular Formula | C6H6O4 |
| Molecular Weight | 142.1094 |
| SMILES | O=C1C2OC(CC2)C(=O)O1 |
| Synonyms | 3,8-Dioxabicyclo[3.2.1]octane-2,4-dione,
54885-06-2,
3,8-Dioxabicyclo[3.2.1]octane-2,4-dione (9CI),
SCHEMBL9601537,
CTK1E2906,
DTXSID50540466,
BGKUPEWYMBTCJC-UHFFFAOYSA-N,
AKOS026728470,
Tetrahydrofuran-2,5-dicarboxylic anhydride,
3,8-Dioxabicyclo[3.2.1]octane-2,4-dione (non-preferred name),
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| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 142.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 142.11g/mol |
| Monoisotopic Mass | 142.027g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number