8-chloro-4-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-one,(Z)-4-hydroxy-4-oxobut-2-enoate structure
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Common Name | 8-chloro-4-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-one,(Z)-4-hydroxy-4-oxobut-2-enoate | ||
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| CAS Number | 37480-13-0 | Molecular Weight | 409.86100 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C20H24ClNO6 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
| Name | 8-chloro-4-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-one,(Z)-4-hydroxy-4-oxobut-2-enoate |
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| Molecular Formula | C20H24ClNO6 |
|---|---|
| Molecular Weight | 409.86100 |
| Exact Mass | 409.12900 |
| PSA | 104.14000 |
| LogP | 3.05700 |
| InChIKey | FXEFLBUTDXBZJH-BTJKTKAUSA-N |
| SMILES | O=C([O-])C=CC(=O)O.O=C1c2ccc(Cl)cc2OCCC1C[NH+]1CCCCC1 |