| CAS Number | 54620-67-6 |
| Catalog Number | AG01EFNP |
| Chemical Name | 5-methoxy-2-[(oxan-2-yloxy)methyl]-4H-pyran-4-one |
| IUPAC Name | 5-methoxy-2-(oxan-2-yloxymethyl)pyran-4-one |
| InChI | InChI=1S/C12H16O5/c1-14-11-8-16-9(6-10(11)13)7-17-12-4-2-3-5-15-12/h6,8,12H,2-5,7H2,1H3 |
| InChI Key | BLFBWNPVUNXZRR-UHFFFAOYSA-N |
| MDL Number | MFCD30472023 |
| Molecular Formula | C12H16O5 |
| Molecular Weight | 240.2524 |
| SMILES | COc1coc(COC2CCCCO2)cc1=O |
| Synonyms | 5-Methoxy-2-(((tetrahydro-2H-pyran-2-yl)oxy)methyl)-4h-pyran-4-one,
54620-67-6,
SCHEMBL13755967,
MFCD30472023,
CS-0039458,
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| Complexity | 345 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.255g/mol |
| Monoisotopic Mass | 240.1g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 54A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
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