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3-(3-methyl-5-oxo-4H-pyrazol-1-yl)propanenitrile

3-(3-methyl-5-oxo-4H-pyrazol-1-yl)propanenitrile structure

CAS No:
2361-34-4
Formula:
C7H9N3O
Chemical Name:
3-(3-methyl-5-oxo-4H-pyrazol-1-yl)propanenitrile
Synonyms:
2-Pyrazoline-1-propionitrile,3-methyl-5-oxo; 3-Methyl-5-oxo-2-pyrazoline-1-propionitrile; 2-Cyanoethyl-3-methylpyrazolone-5;

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3-(3-methyl-5-oxo-4H-pyrazol-1-yl)propanenitrile Basic Attributes

Molecular Weight：

151.16600

Exact Mass：

151.074561919 g/mol

DSSTox ID：

DTXSID40178272

HScode：

2933199090

Characteristics

PSA：

56.46000

XLogP3：

-0.11822

Density：

1.2g/cm3

Boiling Point：

293.6ºC

Flash Point：

131.4ºC

Refractive Index：

1.582

Vapor Pressure：

0.00171mmHg at 25°C

Computed Properties

Molecular Weight:151.17
XLogP3:-0.6
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:151.074561919
Monoisotopic Mass:151.074561919
Topological Polar Surface Area:56.5
Heavy Atom Count:11
Complexity:248
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(3-methyl-5-oxo-4H-pyrazol-1-yl)propanenitrile

Basic Attributes
Characteristics
Computed Properties

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