Home Nitros 2-Amino-8-nitro-7H-purin-6-ol

2-Amino-8-nitro-7H-purin-6-ol

CAS No.:
168701-80-2
Catalog Number:
AG001Y8L
Molecular Formula:
C5H4N6O3
Molecular Weight:
196.1237
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥95%
1 week
United States
$194
- +
5mg
≥95%
1 week
United States
$607
- +
Product Description
Catalog Number:
AG001Y8L
Chemical Name:
2-Amino-8-nitro-7H-purin-6-ol
CAS Number:
168701-80-2
Molecular Formula:
C5H4N6O3
Molecular Weight:
196.1237
MDL Number:
MFCD02259372
IUPAC Name:
2-amino-8-nitro-1,7-dihydropurin-6-one
InChI:
InChI=1S/C5H4N6O3/c6-4-8-2-1(3(12)10-4)7-5(9-2)11(13)14/h(H4,6,7,8,9,10,12)
InChI Key:
IYHJRKNFFYAOGE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1[nH]c2c(n1)c(=O)[nH]c(n2)N
Properties
Complexity:
322  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.034g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
196.126g/mol
Monoisotopic Mass:
196.034g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9  
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Properties