| CAS Number | 5636-66-8 |
| Catalog Number | AG01DUBE(AGN-PC-00C9UE) |
| Chemical Name | Tetrahydro-6-methylene-2H-pyran-2-one |
| IUPAC Name | 6-methylideneoxan-2-one |
| InChI | InChI=1S/C6H8O2/c1-5-3-2-4-6(7)8-5/h1-4H2 |
| InChI Key | OJXKWZPRPPPRSY-UHFFFAOYSA-N |
| MDL Number | MFCD32206244 |
| Molecular Formula | C6H8O2 |
| Molecular Weight | 112.1265 |
| SMILES | O=C1CCCC(O1)=C |
| Synonyms | 6-methylenetetrahydro-2H-pyran-2-one,
5636-66-8,
(rac)-6-methylenetetrahydropyran-2-one,
SCHEMBL5357477,
6-methylene-tetrahydro-pyran-2-one,
2H-Pyran-2-one, tetrahydro-6-methylene-,
6-methylideneoxan-2-one,
CID11593436,
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| Complexity | 127 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 112.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 112.128g/mol |
| Monoisotopic Mass | 112.052g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
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