Mandelic acid, 2-pyridylmethyl ester, acetate, hydrochloride
pyridin-1-ium-2-ylmethyl 2-acetyloxy-2-phenylacetate chloride
Also Known As: RefChem:1088791|AC1L2127|2-Pyridylmethyl mandelate acetate hydrochloride|F 1170|MANDELIC ACID, 2-PYRIDYLMETHYL ESTER, ACETATE, HYDROCHLORIDE|Methanol, 2-pyridyl-, alpha-acetoxymandelate hydrochloride|pyridin-1-ium-2-ylmethyl 2-acetyloxy-2-phenylacetate chloride|Benzeneacetic acid, alpha-hydroxy-, (2-pyridylmethyl)ester, acetate, hydrochloride|Benzeneacetic acid, .alpha.-(acetyloxy)-, 2-pyridinylmethyl ester, hydrochloride
| Molecular Formula | C16H16ClNO4 |
|---|---|
| Molecular Weight | 321.07678 g/mol |
| LogP | -1.15 |
| Topological Polar Surface Area | 66.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.07678 |
| Heavy Atoms | 22 |
| Complexity | 604.1 |
Chemical Identifiers
| CAS Number | 42023-70-1 |
|---|---|
| SMILES | CC(=O)OC(C1=CC=CC=C1)C(=O)OCC2=CC=CC=[NH+]2.[Cl-] |
Product Overview
Mandelic acid, 2-pyridylmethyl ester, acetate, hydrochloride (CAS 42023-70-1), with molecular formula C16H16ClNO4 and molecular weight 321.07678 g/mol. IUPAC: pyridin-1-ium-2-ylmethyl 2-acetyloxy-2-phenylacetate chloride.
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