AC1MI0TG
dipotassium;3-[5-benzylidene-3-(2-carboxylatoethyl)-2,4,6-trioxo-1,3-diazinan-1-yl]propanoate
Also Known As: Barbituric acid, 1,3-bis(2-carboxyethyl)-5-benzylidene-, dipotassium salt|1,3-Pyrimidinedipropionic acid, hexahydro-5-benzylidene-2,4,6-trioxo-, dipotassium salt|Hexahydro-5-benzylidene-2,4,6-trioxo-1,3-pyrimidinedipropionic acid dipotassium salt|Dipotassium 3,3'-(5-benzylidene-2,4,6-trioxo-1,3-diazinane-1,3-diyl)dipropanoate|dipotassium 3-[5-benzylidene-3-(3-oxido-3-oxopropyl)-2,4,6-trioxo-1,3-diazinan-1-yl]propanoate
| Molecular Formula | C17H14K2N2O7 |
|---|---|
| Molecular Weight | 436.0075 g/mol |
| LogP | -7.8512 |
| Topological Polar Surface Area | 137.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 436.0075 |
| Monoisotopic Mass | 436.0075 |
| Heavy Atoms | 28 |
| Complexity | 753.95544 |
Chemical Identifiers
| CAS Number | 78472-83-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=C2C(=O)N(C(=O)N(C2=O)CCC(=O)[O-])CCC(=O)[O-].[K+].[K+] |
Product Overview
AC1MI0TG (CAS 78472-83-0), with molecular formula C17H14K2N2O7 and molecular weight 436.0075 g/mol. IUPAC: dipotassium;3-[5-benzylidene-3-(2-carboxylatoethyl)-2,4,6-trioxo-1,3-diazinan-1-yl]propanoate.
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