5-Benzofuranol, 3-benzoyl-4-dimethylaminomethyl-, hydrochloride
Basic information
- CAS
29538-91-8- Standard SMILES
C[NH+](C)Cc1c(O)ccc2occ(C(=O)c3ccccc3)c12.[Cl-]- InChIKey
RNYPDJICEWHDEW-UHFFFAOYSA-N- Molecular formula
- C18H18ClNO3
- Average molar mass
- 331.8 g/mol
- Monoisotopic mass
- 331.0975211
Names & identifiers
- Preferred name
- 5-Benzofuranol, 3-benzoyl-4-dimethylaminomethyl-, hydrochloride
- IUPAC
- (3-benzoyl-5-hydroxy-1-benzofuran-4-yl)methyl-dimethylazanium chloride
Names & synonyms
5-BENZOFURANOL, 3-BENZOYL-4-DIMETHYLAMINOMETHYL-, HYDROCHLORIDE3-Benzoyl-4-dimethylaminomethyl-5-hydroxybenzofuran hydrochloride29538-91-8RefChem:301221
Database identifiers
- CAS
29538-91-8- PubChem CID
- 34610
Properties
Computed structural properties
- Topological polar surface area
- 54.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 392
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Compound notes
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