Home Nitriles 1-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile

1-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile

CAS No.:
7465-66-9
Catalog Number:
AG005UZ1
Molecular Formula:
C6H5N3O2
Molecular Weight:
151.1228
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Product Description
Catalog Number:
AG005UZ1
Chemical Name:
1-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CAS Number:
7465-66-9
Molecular Formula:
C6H5N3O2
Molecular Weight:
151.1228
MDL Number:
MFCD00172902
IUPAC Name:
1-methyl-2,4-dioxopyrimidine-5-carbonitrile
InChI:
InChI=1S/C6H5N3O2/c1-9-3-4(2-7)5(10)8-6(9)11/h3H,1H3,(H,8,10,11)
InChI Key:
YTJSNMJWGAJURT-UHFFFAOYSA-N
SMILES:
Cn1cc(C#N)c(=O)[nH]c1=O
NSC Number:
36158
Properties
Complexity:
296  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.038g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
151.125g/mol
Monoisotopic Mass:
151.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9  
Properties