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Home > Nitro Compounds > 7269-59-2
7269-59-2 | 6-nitroso-1,7-dihydro-2h-purin-2-one
CAS No: 7269-59-2 Catalog No: AG005FN4 MDL No:
Product Description
Catalog Number:
AG005FN4
Chemical Name:
6-nitroso-1,7-dihydro-2h-purin-2-one
CAS Number:
7269-59-2
Molecular Formula:
C5H3N5O2
Molecular Weight:
165.1096
IUPAC Name:
6-nitroso-1,7-dihydropurin-2-one
InChI:
InChI=1S/C5H3N5O2/c11-5-8-3-2(6-1-7-3)4(9-5)10-12/h1H,(H2,6,7,8,9,11)
InChI Key:
HPYMZEWGNUSZPY-UHFFFAOYSA-N
SMILES:
O=Nc1[nH]c(=O)nc2c1[nH]cn2
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.029g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
165.112g/mol
Monoisotopic Mass:
165.029g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
95.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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