Calcium nicotinate
Basic information
- CAS
823-77-8- Standard SMILES
O=C([O-])c1cccnc1.O=C([O-])c1cccnc1.[Ca+2]- InChIKey
CFKVDGBWWNMDKZ-UHFFFAOYSA-L- Molecular formula
- C12H8CaN2O4
- Average molar mass
- 284.28 g/mol
- Monoisotopic mass
- 284.0109976
Names & identifiers
- Preferred name
- Calcium nicotinate
- IUPAC
- calcium bis(pyridine-3-carboxylate)
Names & synonyms
calcium nicotinateCalcium dinicotinate823-77-8Nicotinic acid, calcium saltUNII-36RI01102MEINECS 212-518-636RI01102MDTXSID00231675NICOTINIC ACID CALCIUM [WHO-DD]3-PYRIDINECARBOXYLIC ACID, CALCIUM SALT (2:1)RefChem:122872NICOTINIC ACID CALCIUM
Show more names
DTXCID30154166calcium;pyridine-3-carboxylateSCHEMBL587526Calcium dipyridine-3-carboxylateCFKVDGBWWNMDKZ-UHFFFAOYSA-LNS00079796Q27256593
Database identifiers
- CAS
823-77-8- PubChem CID
- 71571
- DTXSID
DTXSID00231675- UNII
- 36RI01102M
- EC Number
- 212-518-6
- Nikkaji
- J28.103D
Properties
Computed structural properties
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 108
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Related reactions
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Compound notes
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