Home Nitriles 3-Hydroxy-1-Methyl-1H-Pyrazole-5-Carbonitrile

3-Hydroxy-1-Methyl-1H-Pyrazole-5-Carbonitrile

CAS No.:
1692905-38-6
Catalog Number:
AG00HZAG
Molecular Formula:
C5H5N3O
Molecular Weight:
123.1127
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Product Description
Catalog Number:
AG00HZAG
Chemical Name:
3-Hydroxy-1-Methyl-1H-Pyrazole-5-Carbonitrile
CAS Number:
1692905-38-6
Molecular Formula:
C5H5N3O
Molecular Weight:
123.1127
MDL Number:
MFCD25459975
IUPAC Name:
2-methyl-5-oxo-1H-pyrazole-3-carbonitrile
InChI:
InChI=1S/C5H5N3O/c1-8-4(3-6)2-5(9)7-8/h2H,1H3,(H,7,9)
InChI Key:
DEBNSPBEFKQLGG-UHFFFAOYSA-N
SMILES:
Cn1nc(cc1C#N)O
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.043g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
123.115g/mol
Monoisotopic Mass:
123.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties