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75128-58-4 | 6H-Purin-6-one, 2-amino-9-(ethoxymethyl)-1,9-dihydro-
CAS No: 75128-58-4 Catalog No: AG005E6A MDL No:
Product Description
Catalog Number:
AG005E6A
Chemical Name:
6H-Purin-6-one, 2-amino-9-(ethoxymethyl)-1,9-dihydro-
CAS Number:
75128-58-4
Molecular Formula:
C8H11N5O2
Molecular Weight:
209.2052
IUPAC Name:
2-amino-9-(ethoxymethyl)-1H-purin-6-one
InChI:
InChI=1S/C8H11N5O2/c1-2-15-4-13-3-10-5-6(13)11-8(9)12-7(5)14/h3H,2,4H2,1H3,(H3,9,11,12,14)
InChI Key:
AVEGLFHOBOAVIJ-UHFFFAOYSA-N
SMILES:
CCOCn1cnc2c1nc(N)[nH]c2=O
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.091g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
209.209g/mol
Monoisotopic Mass:
209.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
94.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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