5-[(2-Nitrophenyl)hydrazinylidene]-2-phenyl-1,3-dioxane-4,6-dione
Basic information
- CAS
81077-49-8- Standard SMILES
O=C1OC(c2ccccc2)OC(=O)C1=NNc1ccccc1[N+](=O)[O-]- InChIKey
VORNHARDDMLCRE-UHFFFAOYSA-N- Molecular formula
- C16H11N3O6
- Average molar mass
- 341.27 g/mol
- Monoisotopic mass
- 341.06478508
Names & identifiers
- Preferred name
- 5-[(2-Nitrophenyl)hydrazinylidene]-2-phenyl-1,3-dioxane-4,6-dione
- IUPAC
- 5-[(2-nitrophenyl)hydrazinylidene]-2-phenyl-1,3-dioxane-4,6-dione
Names & synonyms
81077-49-8NSC3587565-[(2-nitrophenyl)hydrazinylidene]-2-phenyl-1,3-dioxane-4,6-dioneDTXSID10320382NSC-3587565-[2-(2-Nitrophenyl)hydrazinylidene]-2-phenyl-1,3-dioxane-4,6-dione
Database identifiers
- CAS
81077-49-8- PubChem CID
- 338052
- DTXSID
DTXSID10320382
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 547
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Compound notes
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