2H-1-Benzopyran-3-carboxylic acid, 2-oxo-, 2-(4-morpholinyl)ethyl ester, hydrochloride (1:1)
Basic information
- CAS
73728-41-3- Standard SMILES
Cl.O=C(OCCN1CCOCC1)c1cc2ccccc2oc1=O- InChIKey
RVDOWOZIKKZCLE-UHFFFAOYSA-N- Molecular formula
- C16H18ClNO5
- Average molar mass
- 339.77 g/mol
- Monoisotopic mass
- 339.0873504
Names & identifiers
- Preferred name
- 2H-1-Benzopyran-3-carboxylic acid, 2-oxo-, 2-(4-morpholinyl)ethyl ester, hydrochloride (1:1)
- IUPAC
- 2-morpholin-4-ylethyl 2-oxochromene-3-carboxylate;hydrochloride
Names & synonyms
73728-41-32H-1-Benzopyrancarboxylic acid, 2-oxo-, (2-morpholinoethyl) ester, hydrochloride2H-1-Benzopyran-3-carboxylic acid, 2-oxo-, 2-(4-morpholinyl)ethyl ester, hydrochlorideDTXSID702240392H-1-Benzopyran-3-carboxylic acid, 2-oxo-, 2-(4-morpholinyl)ethyl ester, hydrochloride (1:1)RefChem:1065191DTXCID20146530(2-Morpholinoethyl) 2-oxo-2H-1-benzopyrancarboxylate hydrochlorideNSC-748112-morpholin-4-ylethyl 2-oxochromene-3-carboxylate;hydrochlorideNSC 74811NSC74811
Show more names
2-morpholin-4-ylethyl 2-oxochromene-3-carboxylateCoumarin, hydrochlorideCoumarin, 3-((2-morpholinoethoxy)carbonyl)-, hydrochloride9C2MZ9N8X92-morpholin-4-ylethyl 2-oxochromene-3-carboxylate hydrochlorideDS-000884WLN: T66 BO CVJ DVO2- AT6N DOTJ &GH2-morpholin-4-ylethyl 2-oxo-2H-chromene-3-carboxylate hydrochloride
Database identifiers
- CAS
73728-41-3- PubChem CID
- 198552
- DTXSID
DTXSID70224039- UNII
- 9C2MZ9N8X9
Properties
Computed structural properties
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 455
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Compound notes
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