1-CYANOACETYL-3,5-DIMETHYLPYRAZOLE
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1-CYANOACETYL-3,5-DIMETHYLPYRAZOLE
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CAS No:
36140-83-7
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Formula:
C8H9N3O
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Chemical Name:
1-CYANOACETYL-3,5-DIMETHYLPYRAZOLE
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Synonyms:
AKOS BBS-00006743;1-CYANOACETYL-3,5-DIMETHYLPYRAZOLE;3-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)-3-OXOPROPANENITRILE;3-(3,5-dimethyl-1-pyrazolyl)-3-oxopropanenitrile;3-(3,5-dimethylpyrazol-1-yl)-3-keto-propionitrile;3-(3,5-dimethylpyrazol-1-yl)-3-oxopropanenitrile;3-(3,5-dimethylpyrazol-1-yl)-3-oxo-propanenitrile;1-Cyanoacetyl-3,5-dimethyl-1H-pyrazole, 97%
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CAS No:
1-CYANOACETYL-3,5-DIMETHYLPYRAZOLE Basic Attributes
163.18
163.074561919 g/mol
95424
DTXSID90294239
2933199090
Characteristics
58.68000
1.05378
1.16±0.1 g/cm3
116-119°C
331.4±44.0 °C(Predicted)
154.2ºC
1.572
5.37±0.10
Computed Properties
Molecular Weight:163.18
XLogP3:0.8
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:163.074561919
Monoisotopic Mass:163.074561919
Topological Polar Surface Area:58.7
Heavy Atom Count:12
Complexity:230
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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