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823226-71-7 | 2,4(1H,3H)-Pyrimidinedione, 1-(6-azidohexyl)-5-methyl-
CAS No: 823226-71-7 Catalog No: AG004YWO MDL No:
Product Description
Catalog Number:
AG004YWO
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 1-(6-azidohexyl)-5-methyl-
CAS Number:
823226-71-7
Molecular Formula:
C11H17N5O2
Molecular Weight:
251.2850
IUPAC Name:
1-(6-azidohexyl)-5-methylpyrimidine-2,4-dione
InChI:
InChI=1S/C11H17N5O2/c1-9-8-16(11(18)14-10(9)17)7-5-3-2-4-6-13-15-12/h8H,2-7H2,1H3,(H,14,17,18)
InChI Key:
RNPATFAQWWOVRU-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NCCCCCCn1cc(C)c(=O)[nH]c1=O
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.138g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.29g/mol
Monoisotopic Mass:
251.138g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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