Basic information
- CAS
823-77-8- Standard SMILES
O=C(O)c1cccnc1.[Ca]- InChIKey
ANAYXXGDTUJQKJ-UHFFFAOYSA-N- Molecular formula
- C6H5CaNO2
- Average molar mass
- 163.19 g/mol
- Monoisotopic mass
- 162.9946193
Names & identifiers
- Preferred name
- 3-Pyridinecarboxylicacid, calcium salt (2:1)
Names & synonyms
3-Pyridinecarboxylicacid, calcium salt (2:1)
Database identifiers
- CAS
823-77-8- PubChem CID
- 66735014
Properties
Computed structural properties
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 114
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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