calcium2-hydroxy-2-phenylacetate(2S)-2-hydroxy-2-phenylacetate

calcium;2-hydroxy-2-phenylacetate;(2S)-2-hydroxy-2-phenylacetate

CAS: 19944-53-7

Molecular Formula	`C16H14CaO6`
Molecular Weight	342.36 g/mol
Topological Polar Surface Area	121.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	2
Exact Mass	342.04163
Heavy Atoms	23
Complexity	133.0

Chemical Identifiers

CAS Number	19944-53-7
SMILES	`C1=CC=C(C=C1)C(C(=O)[O-])O.C1=CC=C(C=C1)C(C(=O)[O-])O.[Ca+2]`
InChIKey	`GCXSYHGQGJCRRW-KLXURFKVSA-L`

📖 Product Overview

calcium2-hydroxy-2-phenylacetate(2S)-2-hydroxy-2-phenylacetate (CAS: 19944-53-7) is a chemical compound with molecular formula C16H14CaO6 and molecular weight 342.36 g/mol. Its IUPAC systematic name is calcium;2-hydroxy-2-phenylacetate;(2S)-2-hydroxy-2-phenylacetate. Topological Polar Surface Area 121.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 6 Rotatable Bonds 2 Exact Mass 342.04163 Heavy Atoms 23 Complexity 133.0 InChI Key: GCXSYHGQGJCRRW-KLXURFKVSA-L. SMILES: C1=CC=C(C=C1)C(C(=O)[O-])O.C1=CC=C(C=C1)C(C(=O)[O-])O.[Ca+2].

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