| CAS Number | 1213781-12-4 |
| Catalog Number | AG01C565 |
| Chemical Name | methyl 2-oxo-8-oxabicyclo[3.2.1]octane-3-carboxylate |
| IUPAC Name | methyl 2-oxo-8-oxabicyclo[3.2.1]octane-3-carboxylate |
| InChI | InChI=1S/C9H12O4/c1-12-9(11)6-4-5-2-3-7(13-5)8(6)10/h5-7H,2-4H2,1H3 |
| InChI Key | JAFRAPBKRIPHRY-UHFFFAOYSA-N |
| MDL Number | MFCD29763312 |
| Molecular Formula | C9H12O4 |
| Molecular Weight | 184.1892 |
| SMILES | COC(C1C(=O)C2OC(CC2)C1)=O |
| Synonyms | methyl 2-oxo-8-oxabicyclo[3.2.1]octane-3-carboxylate,
1213781-12-4,
SCHEMBL19991152,
|
| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.191g/mol |
| Monoisotopic Mass | 184.074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number