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Thymine-1-acetic acid

CAS No.:
20924-05-4
Catalog Number:
AG002K4A
Molecular Formula:
C7H8N2O4
Molecular Weight:
184.1494
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$23
- +
5g
95%
In Stock USA
United States
$57
- +
10g
98%
In Stock USA
United States
$75
- +
25g
98%
In Stock USA
United States
$144
- +
100g
98%
In Stock USA
United States
$400
- +
Product Description
Catalog Number:
AG002K4A
Chemical Name:
Thymine-1-acetic acid
CAS Number:
20924-05-4
Molecular Formula:
C7H8N2O4
Molecular Weight:
184.1494
MDL Number:
MFCD00274250
IUPAC Name:
2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetic acid
InChI:
InChI=1S/C7H8N2O4/c1-4-2-9(3-5(10)11)7(13)8-6(4)12/h2H,3H2,1H3,(H,10,11)(H,8,12,13)
InChI Key:
TZDMCKHDYUDRMB-UHFFFAOYSA-N
SMILES:
OC(=O)Cn1cc(C)c(=O)[nH]c1=O
Properties
Complexity:
308  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.048g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
184.151g/mol
Monoisotopic Mass:
184.048g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8  
Literature
Title Journal
A new chitosan-thymine conjugate: synthesis, characterization and biological activity. International journal of biological macromolecules 20120401
Triostin A derived hybrid for simultaneous DNA binding and metal coordination. Amino acids 20110701
Effect of Steric Constraint at the γ-Backbone Position on the Conformations and Hybridization Properties of PNAs. Journal of nucleic acids 20110101
Solvent free oxidation of primary alcohols and diols using thymine iron(III) catalyst. Chemical communications (Cambridge, England) 20101228
Application of Mitsunobu reaction to solid-phase peptide nucleic acid (PNA) monomer synthesis. Nucleosides, nucleotides & nucleic acids 20020101
Properties