| CAS Number | 31470-16-3 |
| Catalog Number | AG003832(AGN-PC-0N02IL) |
| Chemical Name | 2H-Pyran-2,4(3H)-dione |
| IUPAC Name | pyran-2,4-dione |
| InChI | InChI=1S/C5H4O3/c6-4-1-2-8-5(7)3-4/h1-2H,3H2 |
| InChI Key | MERGMNQXULKBCH-UHFFFAOYSA-N |
| MDL Number | MFCD18814848 |
| Molecular Formula | C5H4O3 |
| Molecular Weight | 112.0835 |
| SMILES | O=C1OC=CC(=O)C1 |
| Synonyms | 2H-PYRAN-2,4(3H)-DIONE,
31470-16-3,
Pyran-2,4-dione,
SCHEMBL469710,
CTK1C5638,
DTXSID70436372,
MFCD18814848,
AKOS030228088,
KS-0000011B,
2H-Pyran-2,4 -dione,
2H-Pyran-2,4(3H)-dione(9CI),
2H-Pyran-2,4(3H)-dione (9CI),
CID10176117,
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| Complexity | 157 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 112.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 112.084g/mol |
| Monoisotopic Mass | 112.016g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
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Certificate of Analysis
Lot Number