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30345-28-9 | 6H-Purin-6-one, 2-amino-3,9-dihydro-3-hydroxy-9-methyl-
CAS No: 30345-28-9 Catalog No: AG002ZTX MDL No:
Product Description
Catalog Number:
AG002ZTX
Chemical Name:
6H-Purin-6-one, 2-amino-3,9-dihydro-3-hydroxy-9-methyl-
CAS Number:
30345-28-9
Molecular Formula:
C6H7N5O2
Molecular Weight:
181.1521
IUPAC Name:
2-amino-3-hydroxy-9-methylpurin-6-one
InChI:
InChI=1S/C6H7N5O2/c1-10-2-8-3-4(12)9-6(7)11(13)5(3)10/h2,13H,1H3,(H2,7,9,12)
InChI Key:
YMTGEOSREYBIRL-UHFFFAOYSA-N
SMILES:
Cn1cnc2c1n(O)c(nc2=O)N
EC Number:
250-138-2
Properties
Complexity:
278
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:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
181.155g/mol
Monoisotopic Mass:
181.06g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
96.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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