Basic information
- CAS
18164-94-8- Standard SMILES
C=CC[n+]1cccc(S(=O)(=O)[O-])c1- InChIKey
JEMHLKILWWGOIT-UHFFFAOYSA-N- Molecular formula
- C8H9NO3S
- Average molar mass
- 199.23 g/mol
- Monoisotopic mass
- 199.03031432
Names & identifiers
- Preferred name
- 1-Allyl-3-sulphonatopyridinium
- IUPAC
- 1-prop-2-enylpyridin-1-ium-3-sulfonate
- English name
- 1-allyl-3-sulphonatopyridinium
- Molecular formula
- C8H9NO3S
- Molecular weight
- 199.22696
Names & synonyms
1-Allyl-3-sulphonatopyridinium18164-94-81-prop-2-enylpyridin-1-ium-3-sulfonateEINECS 242-046-6SCHEMBL65337491-(PROP-2-EN-1-YL)PYRIDIN-1-IUM-3-SULFONATEDTXSID10171174JEMHLKILWWGOIT-UHFFFAOYSA-NNSC158052AKOS032962508NSC 158052NSC-158052
Show more names
1-Allylpyridinium-3-sulfonate1-(2-Propenyl)-3-sulfonatopyridinium
NS00054506
Database identifiers
- CAS
18164-94-8- PubChem CID
- 87484
- DTXSID
DTXSID10171174- EC Number
- 242-046-6
- Nikkaji
- J260.901K
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 69.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 254
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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