| CAS Number | 252006-38-5 |
| Catalog Number | AG002QWC(AGN-PC-0O89O5) |
| Chemical Name | (6R)-2-Hydroxy-6-(hydroxymethyl)-2H-pyran-3(6H)-one |
| IUPAC Name | (2R)-6-hydroxy-2-(hydroxymethyl)-2H-pyran-5-one |
| InChI | InChI=1S/C6H8O4/c7-3-4-1-2-5(8)6(9)10-4/h1-2,4,6-7,9H,3H2/t4-,6?/m1/s1 |
| InChI Key | WNKYVCKDIDTELO-NJXYFUOMSA-N |
| MDL Number | MFCD02683312 |
| Molecular Formula | C6H8O4 |
| Molecular Weight | 144.1253 |
| SMILES | O=C1C(O)O[C@@H](CO)C=C1 |
| Synonyms | 252006-38-5,
2H-Pyran-3(6H)-one, 2-hydroxy-6-(hydroxymethyl)-, (6R)-,
CTK0J4288,
DTXSID10573215,
AKOS030537368,
(6R)-2-Hydroxy-6-(hydroxymethyl)-2H-pyran-3(6H)-one,
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| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 144.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 144.126g/mol |
| Monoisotopic Mass | 144.042g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.2 |
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Certificate of Analysis
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