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120-89-8

120-89-8 | 2,4,5-Imidazolidinetrione

CAS No: 120-89-8 Catalog No: AG000Q1G MDL No:MFCD00014493

Product Description

Catalog Number:
AG000Q1G
Chemical Name:
2,4,5-Imidazolidinetrione
CAS Number:
120-89-8
Molecular Formula:
C3H2N2O3
Molecular Weight:
114.0596
MDL Number:
MFCD00014493
IUPAC Name:
imidazolidine-2,4,5-trione
InChI:
InChI=1S/C3H2N2O3/c6-1-2(7)5-3(8)4-1/h(H2,4,5,6,7,8)
InChI Key:
ZFLIKDUSUDBGCD-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C(=O)N1
EC Number:
204-434-3
UNII:
3XGR439T9P
NSC Number:
9789

Properties

Complexity:
155  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.007g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
114.06g/mol
Monoisotopic Mass:
114.007g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9  

Literature

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The CanOE strategy: integrating genomic and metabolic contexts across multiple prokaryote genomes to find candidate genes for orphan enzymes. PLoS computational biology 20120501
Diphenylparabanic acid as a synthon for the synthesis of α-diketones and α-ketocarboxylic acids. The Journal of organic chemistry 20120106
New insight into the transcarbamylase family: the structure of putrescine transcarbamylase, a key catalyst for fermentative utilization of agmatine. PloS one 20120101
1,3-Dicyclo-hexyl-imidazolidine-2,4,5-trione. Acta crystallographica. Section E, Structure reports online 20111201
1,3-substituted imidazolidine-2,4,5-triones: synthesis and inhibition of cholinergic enzymes. Molecules (Basel, Switzerland) 20110905
Dur3 is the major urea transporter in Candida albicans and is co-regulated with the urea amidolyase Dur1,2. Microbiology (Reading, England) 20110101
Computational thermochemistry of six ureas, imidazolidin-2-one, N,N'-trimethyleneurea, benzimidazolinone, parabanic acid, barbital (5,5'-diethylbarbituric acid), and 3,4,4'-trichlorocarbanilide, with an extension to related compounds. The journal of physical chemistry. A 20100902
Phenotype microarray profiling of Zymomonas mobilis ZM4. Applied biochemistry and biotechnology 20100501
The vibrational spectrum of parabanic acid by inelastic neutron scattering spectroscopy and simulation by solid-state DFT. The journal of physical chemistry. A 20100318
Formamide as the main building block in the origin of nucleic acids. BMC evolutionary biology 20070101
Origin of informational polymers: The concurrent roles of formamide and phosphates. Chembiochem : a European journal of chemical biology 20061101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Study on reactions of 2-(dinitromethylene)-4,5-imidazolidinedione. The Journal of organic chemistry 20040625
Peroxynitrite reacts with 8-nitropurines to yield 8-oxopurines. Chemical research in toxicology 20020101

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