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Basic information
- CAS
29487-13-6- Standard SMILES
CC(=O)Oc1ccc[n+](C)c1.[I-]- InChIKey
GOZOZZSAAKJVHO-UHFFFAOYSA-M- Molecular formula
- C8H10INO2
- Average molar mass
- 279.07 g/mol
- Monoisotopic mass
- 278.97563
Names & identifiers
- Preferred name
- Pyridinium, 3-hydroxy-1-methyl-, iodide, acetate
- IUPAC
- (1-methylpyridin-1-ium-3-yl) acetate iodide
- English name
- Pyridinium, 3-hydroxy-1-methyl-, iodide, acetate
- Molecular formula
- C8H10NO2.I
- Molecular weight
- 279.072
Names & synonyms
29487-13-6Pyridinium, 3-hydroxy-1-methyl-, iodide, acetateRefChem:1097450Pyridinium, 3-acetyloxy-1-methyl-, iodide3-Acetyloxy-1-methylpyridinium iodideDTXSID709520023-(ACETYLOXY)-1-METHYLPYRIDIN-1-IUM IODIDE
Database identifiers
- CAS
29487-13-6- PubChem CID
- 207255
- DTXSID
DTXSID70952002
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 147
Physicochemical properties
- EWG's Food Scores
- 1 · 1
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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