| CAS Number | 861160-58-9 |
| Catalog Number | AG00H3DP |
| Chemical Name | Ethyl 2-(oxan-4-yl)-2-oxoacetate |
| IUPAC Name | ethyl 2-(oxan-4-yl)-2-oxoacetate |
| InChI | InChI=1S/C9H14O4/c1-2-13-9(11)8(10)7-3-5-12-6-4-7/h7H,2-6H2,1H3 |
| InChI Key | CVGLWLOBDWYVJC-UHFFFAOYSA-N |
| MDL Number | MFCD11555777 |
| Molecular Formula | C9H14O4 |
| Molecular Weight | 186.2051 |
| SMILES | CCOC(C(C1CCOCC1)=O)=O |
| Synonyms | ethyl 2-oxo-2-(tetrahydro-2H-pyran-4-yl)acetate,
861160-58-9,
SCHEMBL3940169,
ethyl 2-(oxan-4-yl)-2-oxoacetate,
ZINC43504664,
AKOS006318564,
DA-02522,
FT-0705697,
|
| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.207g/mol |
| Monoisotopic Mass | 186.089g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number