Basic information
- CAS
500111-58-0- Standard SMILES
O=S(=O)(O)C1(O)CCc2ccccc2C1- InChIKey
QBRKFGGAOFUKQV-UHFFFAOYSA-N- Molecular formula
- C10H12O4S
- Average molar mass
- 228.27 g/mol
- Monoisotopic mass
- 228.04563003
Names & identifiers
- Preferred name
- Sodium 1,2,3,4-tetrahydro-2-hydroxynaphthalene-2-sulphonate
- IUPAC
- 2-hydroxy-3,4-dihydro-1H-naphthalene-2-sulfonic acid
Names & synonyms
NSC 5741EINECS 228-531-56289-81-2Sodium 1,2,3,4-tetrahydro-2-hydroxynaphthalene-2-sulphonateDTXSID6013720241,2,3,4-Tetrahydro-2-hydroxy-2-naphthalenesulfonic acid500111-58-0
Database identifiers
- CAS
500111-58-0、6289-81-2- PubChem CID
- 407458
- DTXSID
DTXSID601372024- EC Number
- 228-531-5
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 83 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 332
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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