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3-(5-tert-butyl-2-methylfuran-3-yl)-3-oxopropanenitrile

3-(5-tert-butyl-2-methylfuran-3-yl)-3-oxopropanenitrile structure

CAS No:
175276-65-0
Formula:
C12H15NO2
Chemical Name:
3-(5-tert-butyl-2-methylfuran-3-yl)-3-oxopropanenitrile
Synonyms:
HMS565A07;

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3-(5-tert-butyl-2-methylfuran-3-yl)-3-oxopropanenitrile Basic Attributes

Molecular Weight：

205.25300

Exact Mass：

205.110278721

DSSTox ID：

DTXSID00372456

HScode：

2932190090

Characteristics

PSA：

54.00000

XLogP3：

2.98188

Density：

1.043g/cm3

Boiling Point：

316.1ºC

Flash Point：

145ºC

Refractive Index：

1.484

Vapor Pressure：

0.000419mmHg at 25°C

Computed Properties

Molecular Weight:205.25
XLogP3:2.7
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:205.110278721
Monoisotopic Mass:205.110278721
Topological Polar Surface Area:54
Heavy Atom Count:15
Complexity:295
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(5-tert-butyl-2-methylfuran-3-yl)-3-oxopropanenitrile

Basic Attributes
Characteristics
Computed Properties

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