| CAS Number | 58564-88-8 |
| Catalog Number | AG01C1AV |
| Chemical Name | 7-oxabicyclo[2.2.1]heptan-2-one |
| IUPAC Name | 7-oxabicyclo[2.2.1]heptan-2-one |
| InChI | InChI=1S/C6H8O2/c7-5-3-4-1-2-6(5)8-4/h4,6H,1-3H2 |
| InChI Key | WXPQJUYTXIJMPB-UHFFFAOYSA-N |
| MDL Number | MFCD24688157 |
| Molecular Formula | C6H8O2 |
| Molecular Weight | 112.1265 |
| SMILES | O=C1C2OC(CC2)C1 |
| Synonyms | 7-Oxabicyclo[2.2.1]heptan-2-one,
58564-88-8,
SCHEMBL1701067,
CTK1E9424,
DTXSID50483066,
WXPQJUYTXIJMPB-UHFFFAOYSA-N,
|
| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 112.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 112.128g/mol |
| Monoisotopic Mass | 112.052g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number