5-cyano-1-methyl-1H-pyrazole-4-carboxylic acid


Chemical Name: 5-cyano-1-methyl-1H-pyrazole-4-carboxylic acid
CAS Number: 81303-59-5
Product Number: AG00GDY6(AGN-PC-0WOU93)
Synonyms:
MDL No:
Molecular Formula: C6H5N3O2
Molecular Weight: 151.1228

Identification/Properties


Computed Properties
Molecular Weight:
151.125g/mol
XLogP3:
-0.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
151.038g/mol
Monoisotopic Mass:
151.038g/mol
Topological Polar Surface Area:
78.9A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
219
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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