Basic information
- CAS
14641-21-5- Standard SMILES
Nc1ccc(C(=O)[O-])c([O-])c1.Nc1ccc(C(=O)[O-])c([O-])c1.O.[Al+3].[Ca+2].[OH-]- InChIKey
PXYWZCMRSWPOAX-UHFFFAOYSA-I- Molecular formula
- C14H13AlCaN2O8
- Average molar mass
- 404.32 g/mol
- Monoisotopic mass
- 404.0113196
Names & identifiers
- Preferred name
- Aluminum;calcium;bis(4-amino-2-oxidobenzoate);hydroxide;hydrate
- IUPAC
- aluminum;calcium;bis(4-amino-2-oxidobenzoate);hydroxide;hydrate
Database identifiers
- CAS
14641-21-5- PubChem CID
- 444012
Properties
Computed structural properties
- Topological polar surface area
- 180 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 0
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 365
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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