Basic information
- CAS
53708-72-8- Standard SMILES
CCOC(=O)c1cc(=O)c2ccc(O)c(CN3CCCCC3)c2o1.Cl- InChIKey
BGJUYLKUEYMZJH-UHFFFAOYSA-N- Molecular formula
- C18H22ClNO5
- Average molar mass
- 367.8 g/mol
- Monoisotopic mass
- 367.1186505
Names & identifiers
- Preferred name
- Chromone-2-carboxylic acid, 7-hydroxy-8-(1-piperidinomethyl)-, ethyl ester, hydrochloride
- IUPAC
- ethyl 7-hydroxy-4-oxo-8-(piperidin-1-ylmethyl)chromene-2-carboxylate;hydrochloride
Names & synonyms
Chromone-2-carboxylic acid, 7-hydroxy-8-(1-piperidinomethyl)-, ethyl ester, hydrochloride7-Hydroxy-8-(1-piperidinomethyl)chromone-2-carboxylic acid ethyl ester hydrochloride53708-72-8DTXSID10201965RefChem:334109DTXCID40124456Ethyl 7-hydroxy-4-oxo-8-[(piperidin-1-yl)methyl]-4H-1-benzopyran-2-carboxylate--hydrogen chloride (1/1)
Database identifiers
- CAS
53708-72-8- PubChem CID
- 3041237
- DTXSID
DTXSID10201965
Properties
Computed structural properties
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 512
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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