Home Carboxys 3-Nitro-1H-pyrazole-4-carboxylic acid

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

CAS No.:
39196-96-8
Catalog Number:
AG00JAYQ
Molecular Formula:
C4H3N3O4
Molecular Weight:
157.0843
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Product Description
Catalog Number:
AG00JAYQ
Chemical Name:
3-Nitro-1H-pyrazole-4-carboxylic acid
CAS Number:
39196-96-8
Molecular Formula:
C4H3N3O4
Molecular Weight:
157.0843
MDL Number:
MFCD11983290
IUPAC Name:
5-nitro-1H-pyrazole-4-carboxylic acid
InChI:
InChI=1S/C4H3N3O4/c8-4(9)2-1-5-6-3(2)7(10)11/h1H,(H,5,6)(H,8,9)
InChI Key:
KTIIXGKNWFWDGX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1n[nH]cc1C(=O)O
Properties
Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.012g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
157.085g/mol
Monoisotopic Mass:
157.012g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties