| CAS Number | 50607-34-6 |
| Catalog Number | AG00DL87(AGN-PC-0AAOX3) |
| Chemical Name | 6-Benzyl-4-hydroxy-2H-pyran-2-one |
| IUPAC Name | 6-benzyl-4-hydroxypyran-2-one |
| InChI | InChI=1S/C12H10O3/c13-10-7-11(15-12(14)8-10)6-9-4-2-1-3-5-9/h1-5,7-8,13H,6H2 |
| InChI Key | LODZRQMPPSEWGP-UHFFFAOYSA-N |
| MDL Number | MFCD25963918 |
| Molecular Formula | C12H10O3 |
| Molecular Weight | 202.2060 |
| SMILES | Oc1cc(Cc2ccccc2)oc(=O)c1 |
| Synonyms | 6-Benzyl-4-hydroxy-2H-pyran-2-one,
6-benzyl-4-hydroxy-2-pyrone,
50607-34-6,
SCHEMBL6174115,
CTK1G6411,
DTXSID60715845,
AKOS030537109,
CS-0060066,
2H-Pyran-2-one, 4-hydroxy-6-(phenylmethyl)-,
6-benzyl-4-hydroxypyran-2-one,
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| Complexity | 309 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.209g/mol |
| Monoisotopic Mass | 202.063g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number