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2-(3-Methyl-3-buten-1-yl)benzonitrile

2-(3-Methyl-3-buten-1-yl)benzonitrile structure

CAS No:
731772-68-2
Formula:
C12H13N
Chemical Name:
2-(3-Methyl-3-buten-1-yl)benzonitrile
Synonyms:
Benzonitrile,2-(3-methyl-3-buten-1-yl)-;Benzonitrile,2-(3-methyl-3-butenyl)-;2-(3-Methyl-3-buten-1-yl)benzonitrile;2-(3-Methylbut-3-enyl)benzonitrile

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2-(3-Methyl-3-buten-1-yl)benzonitrile Basic Attributes

Molecular Weight：

171.23800

Exact Mass：

171.24

DSSTox ID：

DTXSID40641133

HScode：

2926909090

Characteristics

PSA：

23.79000

XLogP3：

3.06698

Density：

0.96g/cm3

Boiling Point：

100-115 °C @ Press: 0.02 Torr

Flash Point：

112ºC

Refractive Index：

1.521

Computed Properties

Molecular Weight:171.24
XLogP3:3.6
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:171.104799419
Monoisotopic Mass:171.104799419
Topological Polar Surface Area:23.8
Heavy Atom Count:13
Complexity:221
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(3-Methyl-3-buten-1-yl)benzonitrile

Basic Attributes
Characteristics
Computed Properties

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