| CAS Number | 1187468-62-7 |
| Catalog Number | AG01BTKK |
| Chemical Name | 1-(Tetrahydro-2H-pyran-3-yl)-1-propanone |
| IUPAC Name | 1-(oxan-3-yl)propan-1-one |
| InChI | InChI=1S/C8H14O2/c1-2-8(9)7-4-3-5-10-6-7/h7H,2-6H2,1H3 |
| InChI Key | FGHQPNYAHBYNOH-UHFFFAOYSA-N |
| MDL Number | MFCD21193661 |
| Molecular Formula | C8H14O2 |
| Molecular Weight | 142.1956 |
| SMILES | CCC(C1COCCC1)=O |
| Synonyms | 1-(oxan-3-yl)propan-1-one,
1187468-62-7,
SCHEMBL15125187,
AKOS014667054,
|
| Complexity | 120 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 142.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 142.198g/mol |
| Monoisotopic Mass | 142.099g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
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