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4869-46-9 | 1,3-Dimethyluracil-5-carboxaldehyde
CAS No: 4869-46-9 Catalog No: AG003DKL MDL No:MFCD00099582
Product Description
Catalog Number:
AG003DKL
Chemical Name:
1,3-Dimethyluracil-5-carboxaldehyde
CAS Number:
4869-46-9
Molecular Formula:
C7H8N2O3
Molecular Weight:
168.1500
MDL Number:
MFCD00099582
IUPAC Name:
1,3-dimethyl-2,4-dioxopyrimidine-5-carbaldehyde
InChI:
InChI=1S/C7H8N2O3/c1-8-3-5(4-10)6(11)9(2)7(8)12/h3-4H,1-2H3
InChI Key:
KGJFRZOATIXYPW-UHFFFAOYSA-N
SMILES:
O=Cc1cn(C)c(=O)n(c1=O)C
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.053g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.152g/mol
Monoisotopic Mass:
168.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
Literature
| Title | Journal |
|---|---|
| Antiviral agents: synthesis of furylpyrimidinones and evaluation of their cytostatic and antiviral activity. | Archiv der Pharmazie 19910401 |
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