Coumarin, 7,8-dimethoxy-6-(2-hydroxy-3-morpholinopropoxy)-4-methyl-, hydrochloride
Basic information
- CAS
63446-05-9- Standard SMILES
COc1c(OCC(O)C[NH+]2CCOCC2)cc2c(C)cc(=O)oc2c1OC.[Cl-]- InChIKey
GGRAKVSCMKKXKS-UHFFFAOYSA-N- Molecular formula
- C19H26ClNO7
- Average molar mass
- 415.9 g/mol
- Monoisotopic mass
- 415.1397799
Names & identifiers
- Preferred name
- Coumarin, 7,8-dimethoxy-6-(2-hydroxy-3-morpholinopropoxy)-4-methyl-, hydrochloride
- IUPAC
- 6-(2-hydroxy-3-morpholin-4-ium-4-ylpropoxy)-7,8-dimethoxy-4-methylchromen-2-one chloride
Names & synonyms
Coumarin, 7,8-dimethoxy-6-(2-hydroxy-3-morpholinopropoxy)-4-methyl-, hydrochloride7,8-Dimethoxy-4-methyl-6-(3-morpholino-2-hydroxypropoxy)coumarin hydrochloride63446-05-9RefChem:334458
Database identifiers
- CAS
63446-05-9- PubChem CID
- 44507
Properties
Computed structural properties
- Topological polar surface area
- 87.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 534
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Compound notes
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