Cas no 124537-28-6 (prohexadione-calcium)

prohexadione-calcium structure
prohexadione-calcium structure
Product Name:prohexadione-calcium
CAS No:124537-28-6
MF:C20H22CaO10
MW:462.5
CID:91584
Update Time:2020-07-16

prohexadione-calcium Chemical and Physical Properties

Names and Identifiers

    • prohexadione-calcium
    • 3-Oxido-5-oxo-4-propionylcyclohex-3-enecarboxylic acid calcium salt
    • PROHEXADION-CALCIUM
    • Inchi: InChI=1S/2C10H12O5.Ca/c2*1-2-6(11)9-7(12)3-5(10(14)15)4-8(9)13;/h2*5,9H,2-4H2,1H3,(H,14,15);/q;;+2/p-2
    • InChI Key: SAZAPFZGSHYFGB-UHFFFAOYSA-L
    • SMILES: [Ca+2].O=C1C(C(CC)=O)C(CC(C(=O)[O-])C1)=O.O=C1C(C(CC)=O)C(CC(C(=O)[O-])C1)=O

Computed Properties

  • Exact Mass: 462.08400

Experimental Properties

  • Melting Point: 360℃
  • PSA: 155.02000
  • LogP: 0.27480
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