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1635-26-3

1635-26-3 | 2,4(1H,3H)-Pyrimidinedione, dihydro-5-hydroxy-

CAS No: 1635-26-3 Catalog No: AG001U60 MDL No:

Product Description

Catalog Number:
AG001U60
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, dihydro-5-hydroxy-
CAS Number:
1635-26-3
Molecular Formula:
C4H6N2O3
Molecular Weight:
130.1020
IUPAC Name:
5-hydroxy-1,3-diazinane-2,4-dione
InChI:
InChI=1S/C4H6N2O3/c7-2-1-5-4(9)6-3(2)8/h2,7H,1H2,(H2,5,6,8,9)
InChI Key:
RFKUZJDCLCWCDQ-UHFFFAOYSA-N
SMILES:
OC1CNC(=O)NC1=O

Properties

Complexity:
156  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.038g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
130.103g/mol
Monoisotopic Mass:
130.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7  

Literature

Title Journal
Substrate specificity of the Escherichia coli endonuclease III: excision of thymine- and cytosine-derived lesions in DNA produced by radiation-generated free radicals. Biochemistry 19931116

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