Basic information
- CAS
55453-88-8- Standard SMILES
O=C([O-])Cc1ccc([O-])cc1.[Na+].[Na+]- InChIKey
GOKRIRIVQGCUBN-UHFFFAOYSA-L- Molecular formula
- C8H6Na2O3
- Average molar mass
- 196.11 g/mol
- Monoisotopic mass
- 196.01123261
Names & identifiers
- Preferred name
- Benzeneacetic acid, 4-hydroxy-, sodium salt (1:2)
- IUPAC
- disodium;2-(4-oxidophenyl)acetate
Names & synonyms
DTXSID401373064Benzeneacetic acid, 4-hydroxy-, sodium salt (1:2)55453-88-8
Database identifiers
- CAS
55453-88-8- PubChem CID
- 72482007
- DTXSID
DTXSID401373064
Properties
Computed structural properties
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 131
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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