3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid


Chemical Name: 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid
CAS Number: 113942-30-6
Product Number: AG000A4I(AGN-PC-00H1BR)
Synonyms:
MDL No:
Molecular Formula: C6H5N5O3
Molecular Weight: 195.1356

Identification/Properties


Computed Properties
Molecular Weight:
195.138g/mol
XLogP3:
-0.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
1
Exact Mass:
195.039g/mol
Monoisotopic Mass:
195.039g/mol
Topological Polar Surface Area:
100A^2
Heavy Atom Count:
14
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


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

NMR Spectrum


Other Analytical Data


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