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Home > Imidazoles > 89647-28-9
89647-28-9 | 9H-Imidazo[1,2-a]purin-9-one, 3-ethyl-3,4-dihydro-6-(hydroxymethyl)-
CAS No: 89647-28-9 Catalog No: AG003VVC MDL No:
Product Description
Catalog Number:
AG003VVC
Chemical Name:
9H-Imidazo[1,2-a]purin-9-one, 3-ethyl-3,4-dihydro-6-(hydroxymethyl)-
CAS Number:
89647-28-9
Molecular Formula:
C10H11N5O2
Molecular Weight:
233.2266
IUPAC Name:
3-ethyl-6-(hydroxymethyl)-5H-imidazo[1,2-a]purin-9-one
InChI:
InChI=1S/C10H11N5O2/c1-2-14-5-11-7-8(14)13-10-12-6(4-16)3-15(10)9(7)17/h3,5,16H,2,4H2,1H3,(H,12,13)
InChI Key:
AVGWXYXOBKREHZ-UHFFFAOYSA-N
SMILES:
OCc1cn2c(n1)[nH]c1c(c2=O)ncn1CC
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.091g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
233.231g/mol
Monoisotopic Mass:
233.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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