AC1MI0TA structure

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

CAS: 78472-82-9
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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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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