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876860-54-7 | 1H-Purine-2,6-dione, 1-(2-azidoethyl)-3,7-dihydro-3,7-dimethyl-
CAS No: 876860-54-7 Catalog No: AG004GXP MDL No:
Product Description
Catalog Number:
AG004GXP
Chemical Name:
1H-Purine-2,6-dione, 1-(2-azidoethyl)-3,7-dihydro-3,7-dimethyl-
CAS Number:
876860-54-7
Molecular Formula:
C9H11N7O2
Molecular Weight:
249.2293
IUPAC Name:
1-(2-azidoethyl)-3,7-dimethylpurine-2,6-dione
InChI:
InChI=1S/C9H11N7O2/c1-14-5-11-7-6(14)8(17)16(4-3-12-13-10)9(18)15(7)2/h5H,3-4H2,1-2H3
InChI Key:
YBYXKULWTBXTMS-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NCCn1c(=O)c2n(C)cnc2n(c1=O)C
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.097g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.234g/mol
Monoisotopic Mass:
249.097g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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