5-(2,4-Dioxooxolan-3-ylidene)-1,3-diazinane-2,4,6-trione
Basic information
- CAS
85422-51-1- Standard SMILES
O=C1NC(=O)C(=C2C(=O)COC2=O)C(=O)N1- InChIKey
GWMKPMNCTOIDCN-UHFFFAOYSA-N- Molecular formula
- C8H4N2O6
- Average molar mass
- 224.13 g/mol
- Monoisotopic mass
- 224.00693585
Names & identifiers
- Preferred name
- 5-(2,4-Dioxooxolan-3-ylidene)-1,3-diazinane-2,4,6-trione
- IUPAC
- 5-(2,4-dioxooxolan-3-ylidene)-1,3-diazinane-2,4,6-trione
Names & synonyms
85422-51-15-(2,4-dioxooxolan-3-ylidene)-1,3-diazinane-2,4,6-trioneNSC375395CHEMBL4515502DTXSID20321446NSC-375395
Database identifiers
- CAS
85422-51-1- PubChem CID
- 341823
- DTXSID
DTXSID20321446- ChEMBL
CHEMBL4515502
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 467
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Compound notes
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