Basic information
- CAS
1007495-46-6- Standard SMILES
O=C1CCCC(S(=O)(=O)O)C1.[Na]- InChIKey
KCMNZFAVAZQEAD-UHFFFAOYSA-N- Molecular formula
- C6H10NaO4S
- Average molar mass
- 201.2 g/mol
- Monoisotopic mass
- 201.01974925
Names & identifiers
- Preferred name
- Sodium, 3-oxo-cyclohexanesulfonate
- English name
- Cyclohexanesulfonic acid, 3-oxo-, sodium salt (1:1)
- Molecular formula
- C6H11NaO4S
- Molecular weight
- 202.2
Names & synonyms
SODIUM, 3-OXO-CYCLOHEXANESULFONATECyclohexanesulfonic acid, 3-oxo-, sodium salt (1:1)
Database identifiers
- CAS
1007495-46-6- PubChem CID
- 126957833
- EC Number
- 167-525-6
Properties
Computed structural properties
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 248
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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