AC1MI0TA
dipotassium;2-[5-benzylidene-3-(carboxylatomethyl)-2,4,6-trioxo-1,3-diazinan-1-yl]acetate
Also Known As: Barbituric acid, 1,3-bis(carboxymethyl)-5-benzylidene-, dipotassium salt|Hexahydro-5-benzylidene-2,4,6-trioxo-1,3-pyrimidinediacetic acid dipotassium salt|1,3-Pyrimidinediacetic acid, hexahydro-5-benzylidene-2,4,6-trioxo-, dipotassium salt|Dipotassium 2,2'-(5-benzylidene-2,4,6-trioxo-1,3-diazinane-1,3-diyl)diacetate|dipotassium 2-[5-benzylidene-3-(2-oxido-2-oxoethyl)-2,4,6-trioxo-1,3-diazinan-1-yl]acetate
| Molecular Formula | C15H10K2N2O7 |
|---|---|
| Molecular Weight | 407.97623 g/mol |
| LogP | -8.6314 |
| Topological Polar Surface Area | 137.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 407.97623 |
| Monoisotopic Mass | 407.97623 |
| Heavy Atoms | 26 |
| Complexity | 724.51825 |
Chemical Identifiers
| CAS Number | 78472-82-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=C2C(=O)N(C(=O)N(C2=O)CC(=O)[O-])CC(=O)[O-].[K+].[K+] |
Product Overview
AC1MI0TA (CAS 78472-82-9), with molecular formula C15H10K2N2O7 and molecular weight 407.97623 g/mol. IUPAC: dipotassium;2-[5-benzylidene-3-(carboxylatomethyl)-2,4,6-trioxo-1,3-diazinan-1-yl]acetate.
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