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3-oxo-3-thiophen-3-ylpropanenitrile

3-oxo-3-thiophen-3-ylpropanenitrile structure

CAS No:
69879-30-7
Formula:
C7H5NOS
Chemical Name:
3-oxo-3-thiophen-3-ylpropanenitrile
Synonyms:
2-(thiophene-3-carbonyl)acetonitrile; 3-oxo-3-(thiophen-3-yl)propanenitrile; 3-oxo-3-(3-thienyl)propanenitrile; 3-oxo-3-(3-thiophenyl)propanenitrile; 3-THENOYLACETONITRILE; oxothienylpropanenitrile; 3-cyanoacetyl thiophene;Expand

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3-oxo-3-thiophen-3-ylpropanenitrile Basic Attributes

Molecular Weight：

151.18600

Exact Mass：

151.00918496

DSSTox ID：

DTXSID20372352

HScode：

2934999090

Characteristics

PSA：

69.10000

XLogP3：

1.84448

Density：

1.256g/cm3

Melting Point：

91-93ºC

Boiling Point：

313.4ºC at 760 mmHg

Flash Point：

143.3ºC

Refractive Index：

1.565

Computed Properties

Molecular Weight:151.19
XLogP3:1.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:151.00918496
Monoisotopic Mass:151.00918496
Topological Polar Surface Area:69.1
Heavy Atom Count:10
Complexity:181
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-oxo-3-thiophen-3-ylpropanenitrile

Basic Attributes
Characteristics
Computed Properties

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