Home Nitriles 1-(2-hydroxyethyl)-6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile

1-(2-hydroxyethyl)-6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile

CAS No.:
7154-48-5
Catalog Number:
AG005SY9
Molecular Formula:
C8H9N3O3
Molecular Weight:
195.1754
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Product Description
Catalog Number:
AG005SY9
Chemical Name:
1-(2-hydroxyethyl)-6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CAS Number:
7154-48-5
Molecular Formula:
C8H9N3O3
Molecular Weight:
195.1754
MDL Number:
MFCD30539691
IUPAC Name:
1-(2-hydroxyethyl)-6-methyl-2,4-dioxopyrimidine-5-carbonitrile
InChI:
InChI=1S/C8H9N3O3/c1-5-6(4-9)7(13)10-8(14)11(5)2-3-12/h12H,2-3H2,1H3,(H,10,13,14)
InChI Key:
MLWHLVRGPVKTEC-UHFFFAOYSA-N
SMILES:
Cc1c(C#N)c(=O)[nH]c(=O)n1CCO
NSC Number:
73579
Properties
Complexity:
363  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.064g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
195.178g/mol
Monoisotopic Mass:
195.064g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2  
Properties