Cobalt(2+) 2-benzoylbenzoate--3-(1-methylpyrrolidin-2-yl)pyridine--water (1/2/2/3)
Basic information
- CAS
64092-16-6- Standard SMILES
CN1CCCC1c1cccnc1.CN1CCCC1c1cccnc1.O.O.O.O=C([O-])c1ccccc1C(=O)c1ccccc1.O=C([O-])c1ccccc1C(=O)c1ccccc1.[Co+2]- InChIKey
KSJNHEPESRXSAI-UHFFFAOYSA-L- Molecular formula
- C48H52CoN4O9
- Average molar mass
- 887.9 g/mol
- Monoisotopic mass
- 887.306623
Names & identifiers
- Preferred name
- Cobalt(2+) 2-benzoylbenzoate--3-(1-methylpyrrolidin-2-yl)pyridine--water (1/2/2/3)
- IUPAC
- bis(2-benzoylbenzoate);cobalt(2+);bis(3-(1-methylpyrrolidin-2-yl)pyridine);trihydrate
Names & synonyms
64092-16-6DTXSID50982589Cobalt(2+) 2-benzoylbenzoate--3-(1-methylpyrrolidin-2-yl)pyridine--water (1/2/2/3)RefChem:1082057DTXCID201409851Cobalt, bis(2-benzoylbenzoato-O(sup 1)bis(3-(1-methyl-2-pyrrolidinyl)pyridine-N(sup 1))-trihydrate, (T-4-(S),(S))-
Database identifiers
- CAS
64092-16-6- PubChem CID
- 3048880
- DTXSID
DTXSID50982589
Properties
Computed structural properties
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 6
- Heavy atoms
- 62
- Formal charge
- 0
- Complexity
- 433
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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