2-{3-cyano-7-hydroxy-5-methylpyrazolo[1,5-a]pyrimidin-6-yl}acetic acid


Chemical Name: 2-{3-cyano-7-hydroxy-5-methylpyrazolo[1,5-a]pyrimidin-6-yl}acetic acid
CAS Number: 1118787-65-7
Product Number: AG019UFU(AGN-PC-0WAGT3)
Synonyms:
MDL No:
Molecular Formula: C10H8N4O3
Molecular Weight: 232.1955

Identification/Properties


Computed Properties
Molecular Weight:
232.199g/mol
XLogP3:
-0.6
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
232.06g/mol
Monoisotopic Mass:
232.06g/mol
Topological Polar Surface Area:
106A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
561
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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