| CAS Number | 1461715-33-2 |
| Catalog Number | AG01A65K |
| Chemical Name | Ethyl 2-methyl-3-(oxan-4-yl)propanoate |
| IUPAC Name | ethyl 2-methyl-3-(oxan-4-yl)propanoate |
| InChI | InChI=1S/C11H20O3/c1-3-14-11(12)9(2)8-10-4-6-13-7-5-10/h9-10H,3-8H2,1-2H3 |
| InChI Key | CQSBWIZPUJXIKT-UHFFFAOYSA-N |
| MDL Number | MFCD26407574 |
| Molecular Formula | C11H20O3 |
| Molecular Weight | 200.2747 |
| SMILES | CCOC(C(CC1CCOCC1)C)=O |
| Synonyms | ethyl 2-methyl-3-(oxan-4-yl)propanoate,
1461715-33-2,
A1-09553,
|
| Complexity | 173 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.141g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.278g/mol |
| Monoisotopic Mass | 200.141g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number