7H-Pyrazolo[4,3-d]pyrimidin-7-one, 1,4-dihydro-


Chemical Name: 7H-Pyrazolo[4,3-d]pyrimidin-7-one, 1,4-dihydro-
CAS Number: 13877-55-9
Product Number: AG0019JA(AGN-PC-0JLURS)
Synonyms:
MDL No:
Molecular Formula: C5H4N4O
Molecular Weight: 136.1115

Identification/Properties


Computed Properties
Molecular Weight:
136.114g/mol
XLogP3:
-0.7
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
136.039g/mol
Monoisotopic Mass:
136.039g/mol
Topological Polar Surface Area:
70.1A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
190
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


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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