| CAS Number | 1369498-81-6 |
| Catalog Number | AG009HLG |
| Chemical Name | 6,8-Dioxabicyclo[3.2.1]octan-3-one |
| IUPAC Name | 6,8-dioxabicyclo[3.2.1]octan-3-one |
| InChI | InChI=1S/C6H8O3/c7-4-1-5-3-8-6(2-4)9-5/h5-6H,1-3H2 |
| InChI Key | HCXQQQLFLDDUNB-UHFFFAOYSA-N |
| MDL Number | MFCD22689934 |
| Molecular Formula | C6H8O3 |
| Molecular Weight | 128.1259 |
| SMILES | O=C1CC2COC(C1)O2 |
| Synonyms | 6,8-DIOXABICYCLO[3.2.1]OCTAN-3-ONE,
1369498-81-6,
SCHEMBL9219399,
DTXSID60512518,
MFCD22689934,
FCH2059361,
AS-38656,
AB0076253,
AX8266987,
X-2679,
|
| Complexity | 143 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 128.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 128.127g/mol |
| Monoisotopic Mass | 128.047g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number