1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[(3-nitrophenyl)methylene]-
Basic information
- CAS
16286-25-2- Standard SMILES
CC1(C)OC(=O)C(=Cc2cccc([N+](=O)[O-])c2)C(=O)O1- InChIKey
QNQMAOGVJKYURH-UHFFFAOYSA-N- Molecular formula
- C13H11NO6
- Average molar mass
- 277.23 g/mol
- Monoisotopic mass
- 277.05863707
Names & identifiers
- Preferred name
- 1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[(3-nitrophenyl)methylene]-
- IUPAC
- 2,2-dimethyl-5-[(3-nitrophenyl)methylidene]-1,3-dioxane-4,6-dione
- English name
- 2,2-Dimethyl-5-(3-nitrobenzylidene)-1,3-dioxane-4,6-dione
- Molecular formula
- C13H11NO6
- Molecular weight
- 277.23
Names & synonyms
16286-25-22,2-dimethyl-5-[(3-nitrophenyl)methylidene]-1,3-dioxane-4,6-dione1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[(3-nitrophenyl)methylene]-2,2-Dimethyl-5-(3-nitrobenzylidene)-1,3-dioxane-4,6-dioneSCHEMBL9062718DTXSID90337236Malonic acid, (m-nitrobenzylidene)-, cyclic isopropylidene esterAKOS0035986115-(3-nitrobenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione2,2-Dimethyl-5-(3-nitrobenzylidene)-1,3-dioxane-4,6-dione #2,2-Dimethyl-5-[(3-nitrophenyl)methylene]-1,3-dioxane-4,6-dione
Database identifiers
- CAS
16286-25-2- PubChem CID
- 540398
- DTXSID
DTXSID90337236- Nikkaji
- J144.934F
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 98.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 454
Related reactions
2 records
Compound notes
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