3-Benzofurancarboxylic acid, 5-hydroxy-2-(morpholinomethyl)-, ethyl ester, hydrochloride
Basic information
- CAS
65919-88-2- Standard SMILES
CCOC(=O)c1c(C[NH+]2CCOCC2)oc2ccc(O)cc12.[Cl-]- InChIKey
JDJPOMPOKOSDAA-UHFFFAOYSA-N- Molecular formula
- C16H20ClNO5
- Average molar mass
- 341.78 g/mol
- Monoisotopic mass
- 341.1030004
Names & identifiers
- Preferred name
- 3-Benzofurancarboxylic acid, 5-hydroxy-2-(morpholinomethyl)-, ethyl ester, hydrochloride
- IUPAC
- ethyl 5-hydroxy-2-(morpholin-4-ium-4-ylmethyl)-1-benzofuran-3-carboxylate chloride
Names & synonyms
5-Hydroxy-2-(morpholinomethyl)-3-benzofurancarboxylic acid ethyl ester hydrochloride65919-88-22-(Morpholinomethyl)-3-carboethoxy-5-hydroxybenzofuran hydrochloride3-Benzofurancarboxylic acid, 5-hydroxy-2-(morpholinomethyl)-, ethyl ester, hydrochlorideRefChem:276894ethyl 5-hydroxy-2-(morpholin-4-ium-4-ylmethyl)-1-benzofuran-3-carboxylate;chloride
Database identifiers
- CAS
65919-88-2- PubChem CID
- 47774
Properties
Computed structural properties
- Topological polar surface area
- 73.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 385
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Compound notes
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