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30345-23-4 | 6H-Purin-6-one, 2-amino-1,9-dihydro-1-methyl-, 3-oxide
CAS No: 30345-23-4 Catalog No: AG002ZTZ MDL No:
Product Description
Catalog Number:
AG002ZTZ
Chemical Name:
6H-Purin-6-one, 2-amino-1,9-dihydro-1-methyl-, 3-oxide
CAS Number:
30345-23-4
Molecular Formula:
C6H7N5O2
Molecular Weight:
181.1521
IUPAC Name:
3-hydroxy-2-imino-1-methyl-7H-purin-6-one
InChI:
InChI=1S/C6H7N5O2/c1-10-5(12)3-4(9-2-8-3)11(13)6(10)7/h2,7,13H,1H3,(H,8,9)
InChI Key:
DQIIPZOYVYHCGT-UHFFFAOYSA-N
SMILES:
[O-][n+]1c(N)n(C)c(=O)c2c1[nH]cn2
UNII:
01VNU8ZSO0
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.06g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
181.155g/mol
Monoisotopic Mass:
181.06g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
96.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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