Titanium(4+) 1,3-dioxo-1-phenylbutan-2-ide ethoxide (1/2/2)
Basic information
- CAS
85969-07-9- Standard SMILES
CC(=O)/C=C(\[O-])c1ccccc1.CC(=O)/C=C(\[O-])c1ccccc1.CC[O-].CC[O-].[Ti+4]- InChIKey
HWMJAPURZLIYQA-JPFZJSEDSA-L- Molecular formula
- C24H28O6Ti
- Average molar mass
- 460.3 g/mol
- Monoisotopic mass
- 460.1365293
Names & identifiers
- Preferred name
- Titanium(4+) 1,3-dioxo-1-phenylbutan-2-ide ethoxide (1/2/2)
- IUPAC
- ethanolate;bis((Z)-3-oxo-1-phenylbut-1-en-1-olate);titanium(4+)
Names & synonyms
Titanium(4+) 1,3-dioxo-1-phenylbutan-2-ide ethoxide (1/2/2)
Database identifiers
- CAS
85969-07-9- PubChem CID
- 5486530
Properties
Computed structural properties
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 191
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Related reactions
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Compound notes
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