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75128-57-3 | 6H-Purin-6-one, 2-amino-1,9-dihydro-9-[1-(2-hydroxyethoxy)ethyl]-
CAS No: 75128-57-3 Catalog No: AG005E6B MDL No:
Product Description
Catalog Number:
AG005E6B
Chemical Name:
6H-Purin-6-one, 2-amino-1,9-dihydro-9-[1-(2-hydroxyethoxy)ethyl]-
CAS Number:
75128-57-3
Molecular Formula:
C9H13N5O3
Molecular Weight:
239.2312
IUPAC Name:
2-amino-9-[1-(2-hydroxyethoxy)ethyl]-1H-purin-6-one
InChI:
InChI=1S/C9H13N5O3/c1-5(17-3-2-15)14-4-11-6-7(14)12-9(10)13-8(6)16/h4-5,15H,2-3H2,1H3,(H3,10,12,13,16)
InChI Key:
BVVBNZORPCKGSD-UHFFFAOYSA-N
SMILES:
OCCOC(n1cnc2c1nc(N)[nH]c2=O)C
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.102g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
239.235g/mol
Monoisotopic Mass:
239.102g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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