Basic information
- CAS
58974-94-0- Standard SMILES
CCCc1ccc(OCC(C)O)c2c(=O)cc(C(=O)O)oc12.[Na+]- InChIKey
QSTOKIKCZVNKGI-UHFFFAOYSA-M- Molecular formula
- C16H18NaO6+
- Average molar mass
- 329.3 g/mol
- Monoisotopic mass
- 329.10010757
Names & identifiers
- Preferred name
- 4H-Benzopyran-2-carboxylic acid, 5-(2-hydroxypropoxy)-4-oxo-8-propyl-, monosodium salt
- IUPAC
- sodium 5-(2-hydroxypropoxy)-4-oxo-8-propylchromene-2-carboxylic acid
- English name
- 5-(2-Hydroxypropoxy)-4-oxo-8-propyl-4H-1-benzopyran-2-carboxylic acid sodium salt
- Molecular weight
- 0
Names & synonyms
4H-Benzopyran-2-carboxylic acid, 5-(2-hydroxypropoxy)-4-oxo-8-propyl-, monosodium salt58974-94-0sodium;5-(2-hydroxypropoxy)-4-oxo-8-propylchromene-2-carboxylic acid5-(2-Hydroxypropoxy)-4-oxo-8-propyl-4H-1-benzopyran-2-carboxylic acid sodium salt
Database identifiers
- CAS
58974-94-0- PubChem CID
- 3085151
Properties
Computed structural properties
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 1
- Complexity
- 458
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…