Basic information
- CAS
19303-60-7- Standard SMILES
Cc1ccc(C(=O)c2coc3ccc(O)c(C[NH+](C)C)c23)c(C)c1.[Cl-]- InChIKey
UXGBBIXLDHOOQE-UHFFFAOYSA-N- Molecular formula
- C20H22ClNO3
- Average molar mass
- 359.8 g/mol
- Monoisotopic mass
- 359.1288213
Names & identifiers
- Preferred name
- 5-Benzofuranol, 4-dimethylaminomethyl-3-(2,4-xyloyl)-, hydrochloride
- IUPAC
- [3-(2,4-dimethylbenzoyl)-5-hydroxy-1-benzofuran-4-yl]methyl-dimethylazanium chloride
Names & synonyms
4-Dimethylaminomethyl-3-(2,4-dimethylbenzoyl)-5-hydroxybenzofuran hydrochloride5-BENZOFURANOL, 4-DIMETHYLAMINOMETHYL-3-(2,4-XYLOYL)-, HYDROCHLORIDE19303-60-7RefChem:301240
Database identifiers
- CAS
19303-60-7- PubChem CID
- 29535
Properties
Computed structural properties
- Topological polar surface area
- 54.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 452
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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