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4-(furan-2-yl)-4-oxobutanenitrile

4-(furan-2-yl)-4-oxobutanenitrile structure

CAS No:
17960-37-1
Formula:
C8H7NO2
Chemical Name:
4-(furan-2-yl)-4-oxobutanenitrile
Synonyms:
HMS1718H19; 4-(2-furyl)-4-oxobutanenitrile; 4-furan-2-yl-4-oxo-butyronitrile; 4-(2-Furyl)-4-oxobuttersaeurenitril; 3-(2-furoyl)propionitrile; 4-(2-Furyl)-4-oxobutannitril; 2-<3-Cyan-propionyl>-furan; 4-[2]Furyl-4-oxo-butyronitril; 2-Furanbutanenitrile,g-oxo;Expand

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4-(furan-2-yl)-4-oxobutanenitrile Basic Attributes

Molecular Weight：

149.14700

Exact Mass：

149.047678466 g/mol

DSSTox ID：

DTXSID80366474

HScode：

2932190090

Characteristics

PSA：

54.00000

XLogP3：

1.76608

Density：

1.145g/cm3

Boiling Point：

325.5ºC at 760mmHg

Flash Point：

150.7ºC

Refractive Index：

1.491

Vapor Pressure：

0.000229mmHg at 25°C

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:149.15
XLogP3:0.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:149.047678466
Monoisotopic Mass:149.047678466
Topological Polar Surface Area:54
Heavy Atom Count:11
Complexity:192
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(furan-2-yl)-4-oxobutanenitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

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