Basic information
- Standard SMILES
O=C([O-])CCC(O)c1cccc2c1OCO2.[Na+]- InChIKey
LHNPAMUGOLEKNT-UHFFFAOYSA-M- Molecular formula
- C11H11NaO5
- Average molar mass
- 246.19 g/mol
Names & identifiers
- Preferred name
- sodium (RS)-4-(benzo[1,3]dioxol-4-yl)-4-hydroxybutanoate
- IUPAC
- sodium 4-(1,3-benzodioxol-4-yl)-4-hydroxybutanoate
Names & synonyms
LHNPAMUGOLEKNT-UHFFFAOYSA-Msodium (RS)-4-(benzo[1,3]dioxol-4-yl)-4-hydroxybutanoate
Database identifiers
- PubChem CID
- 86756589
Properties
Computed structural properties
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 260
Related reactions
1 records
Compound notes
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