3-nitro-1H-pyrazole-4-carboxylic acid


Chemical Name: 3-nitro-1H-pyrazole-4-carboxylic acid
CAS Number: 39196-96-8
Product Number: AG00JAYQ(AGN-PC-0WAL2M)
Synonyms:
MDL No:
Molecular Formula: C4H3N3O4
Molecular Weight: 157.0843

Identification/Properties


Computed Properties
Molecular Weight:
157.085g/mol
XLogP3:
-0.1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
157.012g/mol
Monoisotopic Mass:
157.012g/mol
Topological Polar Surface Area:
112A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
188
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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