Benzenesulfonic acid;undec-10-yn-1-ol
Basic information
- CAS
825651-64-7- Standard SMILES
C#CCCCCCCCCCO.O=S(=O)(O)c1ccccc1- InChIKey
BWBJHZVLEPVGKX-UHFFFAOYSA-N- Molecular formula
- C17H26O4S
- Average molar mass
- 326.5 g/mol
- Monoisotopic mass
- 326.15518048
Names & identifiers
- Preferred name
- Benzenesulfonic acid;undec-10-yn-1-ol
- IUPAC
- benzenesulfonic acid;undec-10-yn-1-ol
Names & synonyms
825651-64-7DTXSID00837333Benzenesulfonic acid--undec-10-yn-1-ol (1/1)
Database identifiers
- CAS
825651-64-7- PubChem CID
- 71418005
- DTXSID
DTXSID00837333
Properties
Computed structural properties
- Topological polar surface area
- 83 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 304
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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