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Home > Imidazoles > 89647-29-0
89647-29-0 | 9H-Imidazo[1,2-a]purin-9-one, 3-ethyl-3,4-dihydro-6-methyl-
CAS No: 89647-29-0 Catalog No: AG003VJY MDL No:
Product Description
Catalog Number:
AG003VJY
Chemical Name:
9H-Imidazo[1,2-a]purin-9-one, 3-ethyl-3,4-dihydro-6-methyl-
CAS Number:
89647-29-0
Molecular Formula:
C10H11N5O
Molecular Weight:
217.2272
IUPAC Name:
3-ethyl-6-methyl-5H-imidazo[1,2-a]purin-9-one
InChI:
InChI=1S/C10H11N5O/c1-3-14-5-11-7-8(14)13-10-12-6(2)4-15(10)9(7)16/h4-5H,3H2,1-2H3,(H,12,13)
InChI Key:
UNNNSQNPCRSXMG-UHFFFAOYSA-N
SMILES:
CCn1cnc2c1[nH]c1nc(cn1c2=O)C
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.096g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.232g/mol
Monoisotopic Mass:
217.096g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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