| CAS Number | 670275-62-4 |
| Catalog Number | AG01A2J8(AGN-PC-0TMYZH) |
| Chemical Name | Ethyl 3-oxo-4-(oxolan-2-yl)butanoate |
| IUPAC Name | ethyl 3-oxo-4-(oxolan-2-yl)butanoate |
| InChI | InChI=1S/C10H16O4/c1-2-13-10(12)7-8(11)6-9-4-3-5-14-9/h9H,2-7H2,1H3 |
| InChI Key | JQZYHGAIIKGKKU-UHFFFAOYSA-N |
| MDL Number | MFCD16076937 |
| Molecular Formula | C10H16O4 |
| Molecular Weight | 200.2316 |
| SMILES | CCOC(CC(CC1OCCC1)=O)=O |
| Synonyms | ethyl 3-oxo-4-(oxolan-2-yl)butanoate,
670275-62-4,
AKOS010951793,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.234g/mol |
| Monoisotopic Mass | 200.105g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number