Barium(2+);cyclohexanesulfonic acid
Basic information
- CAS
28100-07-4- Standard SMILES
O=S(=O)(O)C1CCCCC1.[Ba+2]- InChIKey
UDODHDDYWYOZAH-UHFFFAOYSA-N- Molecular formula
- C6H12BaO3S+2
- Average molar mass
- 301.55 g/mol
- Monoisotopic mass
- 301.955962
Names & identifiers
- Preferred name
- Barium(2+);cyclohexanesulfonic acid
- IUPAC
- barium(2+);cyclohexanesulfonic acid
- English name
- Cyclohexanesulfonicacid, barium salt (2:1)
- Molecular formula
- C6H14BaO3S
- Molecular weight
- 303.56
Names & synonyms
28100-07-4NSC243772NSC-243772Cyclohexanesulfonicacid, barium salt (2:1)
Database identifiers
- CAS
28100-07-4- PubChem CID
- 54598320
Properties
Computed structural properties
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 2
- Complexity
- 184
Physicochemical properties
- form
- solid
- InChI
- 1S/C6H12O3S/c7-10(8,9)6-4-2-1-3-5-6/h6H,1-5H2,(H,7,8,9)
- InChIKey
- ZHGASCUQXLPSDT-UHFFFAOYSA-N
- SMILES
- O=S(O)(C1CCCCC1)=O
- UNSPSC Code
- 12352106 · 12352106
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- Storage Class
- 11 - Combustible Solids
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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