3-(6-oxo-3H-purin-9-yl)propanoic acid


Chemical Name: 3-(6-oxo-3H-purin-9-yl)propanoic acid
CAS Number: 34397-00-7
Product Number: AG00C9RQ(AGN-PC-0JNSH0)
Synonyms:
MDL No:
Molecular Formula: C8H8N4O3
Molecular Weight: 208.17412

Identification/Properties


Computed Properties
Molecular Weight:
208.177g/mol
XLogP3:
-1.1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
208.06g/mol
Monoisotopic Mass:
208.06g/mol
Topological Polar Surface Area:
96.6A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
317
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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