Sodium benzene-1,2,3,4,5,6-hexacarboxylic acid
Basic information
- CAS
145-44-8- Standard SMILES
O=C(O)c1c(C(=O)O)c(C(=O)O)c(C(=O)O)c(C(=O)O)c1C(=O)O.[Na+]- InChIKey
LTCCKJAXQMCCEL-UHFFFAOYSA-N- Molecular formula
- C12H6NaO12+
- Average molar mass
- 365.16 g/mol
- Monoisotopic mass
- 364.9756949
Names & identifiers
- Preferred name
- Sodium benzene-1,2,3,4,5,6-hexacarboxylic acid
- IUPAC
- sodium benzene-1,2,3,4,5,6-hexacarboxylic acid
Names & synonyms
145-44-8NSC97249NSC-97249NSC273935NSC-27393582526-19-0
Database identifiers
- CAS
145-44-8、82526-19-0- PubChem CID
- 20162717
Properties
Computed structural properties
- Topological polar surface area
- 224 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 1
- Complexity
- 470
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Compound notes
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