Basic information
- CAS
29538-92-9- Standard SMILES
Cc1ccc(C(=O)c2coc3ccc(O)c(C[NH+](C)C)c23)cc1.[Cl-]- InChIKey
SNCNWRXWAJHVIW-UHFFFAOYSA-N- Molecular formula
- C19H20ClNO3
- Average molar mass
- 345.8 g/mol
- Monoisotopic mass
- 345.1131712
Names & identifiers
- Preferred name
- 5-Benzofuranol, 4-dimethylaminomethyl-3-(p-toluoyl)-, hydrochloride
- IUPAC
- [5-hydroxy-3-(4-methylbenzoyl)-1-benzofuran-4-yl]methyl-dimethylazanium chloride
Names & synonyms
5-BENZOFURANOL, 4-DIMETHYLAMINOMETHYL-3-(p-TOLUOYL)-, HYDROCHLORIDE29538-92-94-Dimethylaminomethyl-5-hydroxy-3-(p-toluoyl)benzofuran hydrochlorideRefChem:301242[5-hydroxy-3-(4-methylbenzoyl)-1-benzofuran-4-yl]methyl-dimethylazanium;chlorideCambridge id 6432320
Database identifiers
- CAS
29538-92-9- PubChem CID
- 34612
Properties
Computed structural properties
- Topological polar surface area
- 54.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 417
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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