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Home > Nitro Compounds > 157119-79-4
157119-79-4 | 2,4(1H,3H)-Pyrimidinedione, 6-methyl-5-nitro-1,3-dipropyl-
CAS No: 157119-79-4 Catalog No: AG001P93 MDL No:
Product Description
Catalog Number:
AG001P93
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 6-methyl-5-nitro-1,3-dipropyl-
CAS Number:
157119-79-4
Molecular Formula:
C11H17N3O4
Molecular Weight:
255.2704
IUPAC Name:
6-methyl-5-nitro-1,3-dipropylpyrimidine-2,4-dione
InChI:
InChI=1S/C11H17N3O4/c1-4-6-12-8(3)9(14(17)18)10(15)13(7-5-2)11(12)16/h4-7H2,1-3H3
InChI Key:
WRWQSJUSHNWSNL-UHFFFAOYSA-N
SMILES:
CCCn1c(C)c([N+](=O)[O-])c(=O)n(c1=O)CCC
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.122g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.274g/mol
Monoisotopic Mass:
255.122g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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