| CAS Number | 1560898-02-3 |
| Catalog Number | AG01EIR9 |
| Chemical Name | ethyl 4-(oxan-4-yl)-2,4-dioxobutanoate |
| IUPAC Name | ethyl 4-(oxan-4-yl)-2,4-dioxobutanoate |
| InChI | InChI=1S/C11H16O5/c1-2-16-11(14)10(13)7-9(12)8-3-5-15-6-4-8/h8H,2-7H2,1H3 |
| InChI Key | TXVBIQBTDSRQDW-UHFFFAOYSA-N |
| MDL Number | MFCD31666143 |
| Molecular Formula | C11H16O5 |
| Molecular Weight | 228.2417 |
| SMILES | O=C(C(CC(C1CCOCC1)=O)=O)OCC |
| Synonyms | SCHEMBL15566866,
ZINC144494113,
ethyl 4-(oxan-4-yl)-2,4-dioxobutanoate,
1560898-02-3,
|
| Complexity | 278 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.244g/mol |
| Monoisotopic Mass | 228.1g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 69.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number