Acetophenone, 3',4'-dihydroxy-2-(1-imidazolyl)-, hydrochloride
Basic information
- CAS
73932-41-9- Standard SMILES
O=C(C[NH+]1C=CN=C1)c1ccc(O)c(O)c1.[Cl-]- InChIKey
YWTRHFTWSLBXIX-UHFFFAOYSA-N- Molecular formula
- C11H11ClN2O3
- Average molar mass
- 254.67 g/mol
- Monoisotopic mass
- 254.0458199
Names & identifiers
- Preferred name
- Acetophenone, 3',4'-dihydroxy-2-(1-imidazolyl)-, hydrochloride
- IUPAC
- 1-(3,4-dihydroxyphenyl)-2-(1H-imidazol-1-ium-1-yl)ethanone chloride
Names & synonyms
73932-41-9ACETOPHENONE, 3',4'-DIHYDROXY-2-(1-IMIDAZOLYL)-, HYDROCHLORIDERefChem:1075929N-(3,4-Dihydroxyphenacyl)imidazole hydrochlorideN-((3,4-Dihydroxybenzoyl)methyl)imidazole hydrochloride
Database identifiers
- CAS
73932-41-9- PubChem CID
- 52779
Properties
Computed structural properties
- Topological polar surface area
- 74.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 327
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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