| CAS Number | 1443980-49-1 |
| Catalog Number | AG01A5F8 |
| Chemical Name | methyl 4-ethyloxane-4-carboxylate |
| IUPAC Name | methyl 4-ethyloxane-4-carboxylate |
| InChI | InChI=1S/C9H16O3/c1-3-9(8(10)11-2)4-6-12-7-5-9/h3-7H2,1-2H3 |
| InChI Key | WEJKSGBCYOBGGL-UHFFFAOYSA-N |
| MDL Number | MFCD24842887 |
| Molecular Formula | C9H16O3 |
| Molecular Weight | 172.2215 |
| SMILES | CCC1(C(OC)=O)CCOCC1 |
| Synonyms | methyl 4-ethyloxane-4-carboxylate,
Methyl 4-ethyltetrahydro-2H-pyran-4-carboxylate,
1443980-49-1,
SCHEMBL16508916,
ZINC95347689,
NE58770,
|
| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.224g/mol |
| Monoisotopic Mass | 172.11g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number