2,2-Dimethyl-5-[(4-nitrophenyl)hydrazinylidene]-1,3-dioxane-4,6-dione
Basic information
- CAS
81077-44-3- Standard SMILES
CC1(C)OC(=O)C(=NNc2ccc([N+](=O)[O-])cc2)C(=O)O1- InChIKey
FRXHUELRNOAPBB-UHFFFAOYSA-N- Molecular formula
- C12H11N3O6
- Average molar mass
- 293.23 g/mol
- Monoisotopic mass
- 293.06478508
Names & identifiers
- Preferred name
- 2,2-Dimethyl-5-[(4-nitrophenyl)hydrazinylidene]-1,3-dioxane-4,6-dione
- IUPAC
- 2,2-dimethyl-5-[(4-nitrophenyl)hydrazinylidene]-1,3-dioxane-4,6-dione
Names & synonyms
81077-44-32,2-dimethyl-5-[2-(4-nitrophenyl)hydrazinylidene]-1,3-dioxane-4,6-dioneNSC3587522,2-dimethyl-5-[(4-nitrophenyl)hydrazinylidene]-1,3-dioxane-4,6-dioneDTXSID20320378STK792572AKOS005611277NSC-3587522,2-dimethyl-5-(2-(4-nitrophenyl)hydrazono)-1,3-dioxane-4,6-dione
Database identifiers
- CAS
81077-44-3- PubChem CID
- 338048
- DTXSID
DTXSID20320378- Nikkaji
- J1.203.614K
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 466
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Related reactions
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Compound notes
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