methyl 2-{4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-1-yl}acetate


Chemical Name: methyl 2-{4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-1-yl}acetate
CAS Number: 1311316-89-8
Product Number: AG01DUC0(AG01DUC0)
Synonyms:
MDL No:
Molecular Formula: C8H8N4O3
Molecular Weight: 208.1741

Identification/Properties


Computed Properties
Molecular Weight:
208.177g/mol
XLogP3:
-0.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
208.06g/mol
Monoisotopic Mass:
208.06g/mol
Topological Polar Surface Area:
85.6A^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

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NMR Spectrum


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