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1-CYANOACETYL-3,5-DIMETHYLPYRAZOLE

1-CYANOACETYL-3,5-DIMETHYLPYRAZOLE structure

CAS No:
36140-83-7
Formula:
C8H9N3O
Chemical Name:
1-CYANOACETYL-3,5-DIMETHYLPYRAZOLE
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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1-CYANOACETYL-3,5-DIMETHYLPYRAZOLE Basic Attributes

Molecular Weight：

163.18

Exact Mass：

163.074561919 g/mol

NSC Number：

95424

DSSTox ID：

DTXSID90294239

HScode：

2933199090

Characteristics

PSA：

58.68000

XLogP3：

1.05378

Density：

1.16±0.1 g/cm3

Melting Point：

116-119°C

Boiling Point：

331.4±44.0 °C(Predicted)

Flash Point：

154.2ºC

Refractive Index：

1.572

PKA：

5.37±0.10

Safety Information

safety instructions：

22-24/25

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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Guide of 1-CYANOACETYL-3,5-DIMETHYLPYRAZOLE

Basic Attributes
Characteristics
Safety Information
Computed Properties

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