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25179-70-8 | 2,4(1H,3H)-Pyrimidinedione, 3-methyl-1-(2-propen-1-yl)-5-propyl-
CAS No: 25179-70-8 Catalog No: AG002QRD MDL No:
Product Description
Catalog Number:
AG002QRD
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 3-methyl-1-(2-propen-1-yl)-5-propyl-
CAS Number:
25179-70-8
Molecular Formula:
C11H16N2O2
Molecular Weight:
208.2569
IUPAC Name:
3-methyl-1-prop-2-enyl-5-propylpyrimidine-2,4-dione
InChI:
InChI=1S/C11H16N2O2/c1-4-6-9-8-13(7-5-2)11(15)12(3)10(9)14/h5,8H,2,4,6-7H2,1,3H3
InChI Key:
WKAXKWZDVWEIOQ-UHFFFAOYSA-N
SMILES:
CCCc1cn(CC=C)c(=O)n(c1=O)C
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.121g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.261g/mol
Monoisotopic Mass:
208.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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