Basic information
- Standard SMILES
O.O=C([O-])C(O)c1ccc(O)cc1.[Na+]- InChIKey
OIKHYMJKSSAAPR-UHFFFAOYSA-M- Molecular formula
- C8H9NaO5
- Average molar mass
- 208.14 g/mol
Names & identifiers
- Preferred name
- 2-Hydroxy-2-(4-hydroxyphenyl)acetic acid, sodium salt hydrate
- IUPAC
- sodium;2-hydroxy-2-(4-hydroxyphenyl)acetate;hydrate
Names & synonyms
SCHEMBL9428535OIKHYMJKSSAAPR-UHFFFAOYSA-M2-Hydroxy-2-(4-hydroxyphenyl)acetic acid, sodium salt hydratesodium p-hydroxymandelate monohydratesodium 4-hydroxymandelate monohydratemonohydrate sodium parahydroxymandelate154317-77-84-hydroxymandelic acid sodium salt monohydrate
Database identifiers
- PubChem CID
- 23698133
Properties
Computed structural properties
- Topological polar surface area
- 81.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 166
Related reactions
10 records
Compound notes
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