Basic information
- CAS
31537-98-1- Standard SMILES
CC1Oc2ccc([N+](C)(C)C)cc2C1=O.[I-]- InChIKey
DPIFBWVYFLNUDP-UHFFFAOYSA-M- Molecular formula
- C12H16INO2
- Average molar mass
- 333.16 g/mol
- Monoisotopic mass
- 333.02258
Names & identifiers
- Preferred name
- N,N,N,2-Tetramethyl-3-oxo-2,3-dihydro-1-benzofuran-5-aminium iodide
- IUPAC
- trimethyl-(2-methyl-3-oxo-1-benzofuran-5-yl)azanium iodide
Names & synonyms
31537-98-1DTXSID50953517N,N,N,2-Tetramethyl-3-oxo-2,3-dihydro-1-benzofuran-5-aminium iodideRefChem:1090325DTXCID801381566(2,3-Dihydro-2-methyl-3-oxo-5-benzofuranyl)trimethylammonium iodide5-Trimethylammonium-2-methylcoumaran-3-one iodineAMMONIUM, (2,3-DIHYDRO-2-METHYL-3-OXO-5-BENZOFURANYL)TRIMETHYL-, IODIDE
Database identifiers
- CAS
31537-98-1- PubChem CID
- 35830
- DTXSID
DTXSID50953517
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 269
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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