RefChem:351920
1-azoniabicyclo[2.2.2]oct-2-en-3-ylmethyl 2-cyclopentyl-2-hydroxy-2-phenylacetate chloride
Also Known As: AC1L1PQD|RefChem:351920|QYGXJQLHENVCKH-UHFFFAOYSA-N|Mandelic acid, alpha-cyclopentyl-, (1-azabicyclo(2.2.2)oct-2-en-3-yl)methyl ester, hydrochloride|3-(1-Azabicyclo(2.2.2)oct-2-ene)methyl alpha-cyclopentyl-alpha-phenylglycolate hydrochloride|1-azoniabicyclo[2.2.2]oct-2-en-3-ylmethyl 2-cyclopentyl-2-hydroxy-2-phenylacetate chloride
| Molecular Formula | C21H28ClNO3 |
|---|---|
| Molecular Weight | 377.17578 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 50.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 377.17578 |
| Heavy Atoms | 26 |
| Complexity | 648.5 |
Chemical Identifiers
| CAS Number | 101710-75-2 |
|---|---|
| SMILES | C1CCC(C1)C(C2=CC=CC=C2)(C(=O)OCC3=C[NH+]4CCC3CC4)O.[Cl-] |
Product Overview
RefChem:351920 (CAS 101710-75-2), with molecular formula C21H28ClNO3 and molecular weight 377.17578 g/mol. IUPAC: 1-azoniabicyclo[2.2.2]oct-2-en-3-ylmethyl 2-cyclopentyl-2-hydroxy-2-phenylacetate chloride.
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