| CAS Number | 57321-93-4 |
| Catalog Number | AG00PKVR(AGN-PC-00GQGN) |
| Chemical Name | 3-Methyl-1,4-Dioxane-2,5-Dione |
| IUPAC Name | 3-methyl-1,4-dioxane-2,5-dione |
| InChI | InChI=1S/C5H6O4/c1-3-5(7)8-2-4(6)9-3/h3H,2H2,1H3 |
| InChI Key | MVXNGTMKSZHHCO-UHFFFAOYSA-N |
| MDL Number | MFCD28361232 |
| Molecular Formula | C5H6O4 |
| Molecular Weight | 130.0987 |
| SMILES | O=C1COC(=O)C(O1)C |
| Synonyms | 3-methyl-1,4-dioxane-2,5-dione,
57321-93-4,
1,4-Dioxane-2,5-dione, 3-methyl-,
SCHEMBL34143,
CTK1F2359,
DTXSID80437810,
MVXNGTMKSZHHCO-UHFFFAOYSA-N,
3-methyl-l,4-dioxane-2,5-dione,
AS-60085,
CS-0094968,
CID10290813,
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| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 130.026609g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 130.1g/mol |
| Monoisotopic Mass | 130.026609g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 52.6Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
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Certificate of Analysis
Lot Number