Basic information
- CAS
65919-90-6- Standard SMILES
CCOC(=O)c1cc2c(C[NH+](C)C)c(O)ccc2o1.[Cl-]- InChIKey
RESMISPPIMFOKJ-UHFFFAOYSA-N- Molecular formula
- C14H18ClNO4
- Average molar mass
- 299.75 g/mol
- Monoisotopic mass
- 299.0924357
Names & identifiers
- Preferred name
- 2-Benzofurancarboxylic acid, 4-((dimethylamino)methyl)-5-hydroxy-, ethyl ester, hydrochloride
- IUPAC
- (2-ethoxycarbonyl-5-hydroxy-1-benzofuran-4-yl)methyl-dimethylazanium chloride
Names & synonyms
65919-90-62-Carboethoxy-4-dimethylaminomethyl-5-hydroxybenzofuran hydrochloride4-((Dimethylamino)methyl)-5-hydroxy-2-benzofurancarboxylic acid ethyl ester hydrochloride2-Benzofurancarboxylic acid, 4-((dimethylamino)methyl)-5-hydroxy-, ethyl ester, hydrochlorideRefChem:256362
Database identifiers
- CAS
65919-90-6- PubChem CID
- 47778
Properties
Computed structural properties
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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