CAS | 51828-93-4 |
Structure | |
Synonyms | Calcium alpha-ketophenylalanine |
IUPAC Name | Calcium;2-oxo-3-phenylpropanoate |
Molecular Weight | 206.25 |
Molecular Formula | C9H10CaO3 |
Canonical SMILES | C1=CC=C(C=C1)CC(=O)C(=O)[O-].C1=CC=C(C=C1)CC(=O)C(=O)[O-].[Ca+2] |
InChI | InChI=1S/2C9H8O3.Ca/c2*10-8(9(11)12)6-7-4-2-1-3-5-7;/h2*1-5H,6H2,(H,11,12);/q;;+2/p-2 |
InChI Key | BKMMOJVSLBZNTK-UHFFFAOYSA-L |
Melting Point | 172 °C (dec.) |
Purity | 98% |
Appearance | White to off-white solid |
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