Phanodorn calcium
calcium 5-(cyclohexen-1-yl)-5-ethyl-6-oxopyrimidine-2,4-diolate
Also Known As: Phanodorn calcium|Cyclobarbital calcium|EINECS 227-590-4|Barbituric acid, 5-(1-cyclohexen-1-yl)-5-ethyl-, calcium salt|calcium 5-(cyclohex-1-en-1-yl)-5-ethyl-6-oxo-5,6-dihydropyrimidine-2,4-diolate|calcium 5-(cyclohexen-1-yl)-5-ethyl-6-oxopyrimidine-2,4-diolate|2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-cyclohexen-1-yl)-5-ethyl-, calcium salt|Calcium 5-(cyclohex-1-en-1-yl)-5-ethyl-2-oxo-2,5-dihydropyrimidine-4,6-bis(olate)
| Molecular Formula | C12H14CaN2O3 |
|---|---|
| Molecular Weight | 274.06302 g/mol |
| LogP | -0.48 |
| Topological Polar Surface Area | 87.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.06302 |
| Heavy Atoms | 18 |
| Complexity | 442.6 |
Chemical Identifiers
| CAS Number | 5897-20-1 |
|---|---|
| SMILES | CCC1(C(=NC(=NC1=O)[O-])[O-])C2=CCCCC2.[Ca+2] |
Product Overview
Phanodorn calcium (CAS 5897-20-1), with molecular formula C12H14CaN2O3 and molecular weight 274.06302 g/mol. IUPAC: calcium 5-(cyclohexen-1-yl)-5-ethyl-6-oxopyrimidine-2,4-diolate.
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