sales@angenesci.com
Login | Register
logo
Structures Search
Home Aldehydes 2,6-Dioxo-1,2,3,6-tetrahydropyrimidine-4-carbaldehyde

2,6-Dioxo-1,2,3,6-tetrahydropyrimidine-4-carbaldehyde

CAS No.:
36327-91-0
Catalog Number:
AG003G62
Molecular Formula:
C5H4N2O3
Molecular Weight:
140.0969
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG003G62
Chemical Name:
2,6-Dioxo-1,2,3,6-tetrahydropyrimidine-4-carbaldehyde
CAS Number:
36327-91-0
Molecular Formula:
C5H4N2O3
Molecular Weight:
140.0969
MDL Number:
MFCD00466409
IUPAC Name:
2,4-dioxo-1H-pyrimidine-6-carbaldehyde
InChI:
InChI=1S/C5H4N2O3/c8-2-3-1-4(9)7-5(10)6-3/h1-2H,(H2,6,7,9,10)
InChI Key:
VUQNLIDVEFIQLP-UHFFFAOYSA-N
SMILES:
O=Cc1cc(=O)[nH]c(=O)[nH]1
UNII:
7IE4ID24Y6
NSC Number:
104159
Properties
Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.022g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
140.098g/mol
Monoisotopic Mass:
140.022g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5  
Literature
Title Journal
Impact of linker strain and flexibility in the design of a fragment-based inhibitor. Nature chemical biology 20090601
Overcoming the inadequacy of X-ray powder diffraction in reliable hydrogen location with the aid of first principles calculations: crystal structure determination of orotaldehyde monohydrate. The journal of physical chemistry. A 20090108
Weight gain in early life predicts risk of islet autoimmunity in children with a first-degree relative with type 1 diabetes. Diabetes care 20090101
Properties