5-oxo-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylicacid


Chemical Name: 5-oxo-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylicacid
CAS Number: 1224944-46-0
Product Number: AG0017B5(AGN-PC-0WAFIG)
Synonyms:
MDL No:
Molecular Formula: C7H5N3O3
Molecular Weight: 179.1329

Identification/Properties


Computed Properties
Molecular Weight:
179.135g/mol
XLogP3:
-0.8
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
179.033g/mol
Monoisotopic Mass:
179.033g/mol
Topological Polar Surface Area:
84.2A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
289
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#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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