| CAS Number | 857177-01-6 |
| Catalog Number | AG00G5LR |
| Chemical Name | Ethyl 2-oxo-2-(4-oxotetrahydro-2H-pyran-3-yl)acetate |
| IUPAC Name | ethyl 2-oxo-2-(4-oxooxan-3-yl)acetate |
| InChI | InChI=1S/C9H12O5/c1-2-14-9(12)8(11)6-5-13-4-3-7(6)10/h6H,2-5H2,1H3 |
| InChI Key | QMOCKDHJHSQMJF-UHFFFAOYSA-N |
| MDL Number | MFCD21604042 |
| Molecular Formula | C9H12O5 |
| Molecular Weight | 200.1886 |
| SMILES | O=C(C(=O)OCC)C1COCCC1=O |
| Synonyms | 857177-01-6,
Ethyl 2-oxo-2-(4-oxotetrahydro-2H-pyran-3-yl)acetate,
SCHEMBL2447326,
QMOCKDHJHSQMJF-UHFFFAOYSA-N,
AKOS022181922,
ethyl 2-oxo-2-(4-oxooxan-3-yl)acetate,
F8881-7855,
2H-Pyran-3-acetic acid, tetrahydro-alpha,4-dioxo-, ethyl ester,
|
| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.19g/mol |
| Monoisotopic Mass | 200.068g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 69.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number