Home Nitros 3-methyl-8-nitro-2,3,6,7-tetrahydro-1H-purine-2,6-dione

3-methyl-8-nitro-2,3,6,7-tetrahydro-1H-purine-2,6-dione

CAS No.:
93703-23-2
Catalog Number:
AG01BB33
Molecular Formula:
C6H5N5O4
Molecular Weight:
211.1350
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Product Description
Catalog Number:
AG01BB33
Chemical Name:
3-methyl-8-nitro-2,3,6,7-tetrahydro-1H-purine-2,6-dione
CAS Number:
93703-23-2
Molecular Formula:
C6H5N5O4
Molecular Weight:
211.1350
MDL Number:
MFCD00612220
IUPAC Name:
3-methyl-8-nitro-7H-purine-2,6-dione
InChI:
InChI=1S/C6H5N5O4/c1-10-3-2(4(12)9-6(10)13)7-5(8-3)11(14)15/h1H3,(H,7,8)(H,9,12,13)
InChI Key:
CUKVQGUXYGJJJX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1[nH]c2c(n1)n(C)c(=O)[nH]c2=O
Properties
Complexity:
339  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.034g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
211.137g/mol
Monoisotopic Mass:
211.034g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  
Properties