AC1MI0TG structure

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

CAS: 78472-83-0
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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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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