| CAS Number | 62737-48-8 |
| Catalog Number | AG01BXQB(AGN-PC-0NIHYS) |
| Chemical Name | 1-(Tetrahydro-2H-pyran-2-yl)ethanone |
| IUPAC Name | 1-(oxan-2-yl)ethanone |
| InChI | InChI=1S/C7H12O2/c1-6(8)7-4-2-3-5-9-7/h7H,2-5H2,1H3 |
| InChI Key | POJLCQLDAGLUSH-UHFFFAOYSA-N |
| MDL Number | MFCD23844865 |
| Molecular Formula | C7H12O2 |
| Molecular Weight | 128.1690 |
| SMILES | CC(C1OCCCC1)=O |
| Synonyms | 62737-48-8,
1-(tetrahydro-2H-pyran-2-yl)ethanone,
1-(oxan-2-yl)ethan-1-one,
Ethanone, 1-(tetrahydro-2H-pyran-2-yl)-,
SCHEMBL10367186,
CTK2B3437,
DTXSID00487372,
AKOS018710246,
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| Complexity | 110 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 128.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 128.171g/mol |
| Monoisotopic Mass | 128.084g/mol |
| Rotatable Bond Count | 1 |
| 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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