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3-oxo-3-(4-propylphenyl)propanenitrile

3-oxo-3-(4-propylphenyl)propanenitrile structure

CAS No:
199102-69-7
Formula:
C12H13NO
Chemical Name:
3-oxo-3-(4-propylphenyl)propanenitrile
Synonyms:
4-n-propylbenzoylacetonitrile;

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3-oxo-3-(4-propylphenyl)propanenitrile Basic Attributes

Molecular Weight：

187.23800

Exact Mass：

187.099714038 g/mol

DSSTox ID：

DTXSID90366400

HScode：

2926909090

Characteristics

PSA：

40.86000

XLogP3：

2.73548

Density：

1.039g/cm3

Boiling Point：

352.5ºC

Flash Point：

167ºC

Refractive Index：

1.522

Vapor Pressure：

3.83E-05mmHg at 25°C

Computed Properties

Molecular Weight:187.24
XLogP3:2.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:187.099714038
Monoisotopic Mass:187.099714038
Topological Polar Surface Area:40.9
Heavy Atom Count:14
Complexity:230
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-oxo-3-(4-propylphenyl)propanenitrile

Basic Attributes
Characteristics
Computed Properties

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