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1H-Indole-3-propanenitrile

1H-Indole-3-propanenitrile structure

CAS No:
4414-76-0
Formula:
C11H10N2
Chemical Name:
1H-Indole-3-propanenitrile
Synonyms:
1H-Indole-3-propanenitrile;Indole-3-propionitrile;1H-Indole-3-propionitrile;Indole-3-propanenitrile;3-(2-Cyanoethyl)indole;3-(3-Indolyl)propionitrile;NSC 33082;NSC 76941

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1H-Indole-3-propanenitrile Basic Attributes

Molecular Weight：

170.215

Exact Mass：

170.21

EC Number：

224-572-8

UNII：

E01CPV5BWN

NSC Number：

76941|33082

DSSTox ID：

DTXSID60196054

HScode：

2933990090

Characteristics

PSA：

39.6

XLogP3：

1.9

Density：

1.177g/cm3

Melting Point：

64 °C

Boiling Point：

178-184 °C

Flash Point：

136ºC

Refractive Index：

1.648

Computed Properties

Molecular Weight:170.21
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:170.084398327
Monoisotopic Mass:170.084398327
Topological Polar Surface Area:39.6
Heavy Atom Count:13
Complexity:215
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1H-Indole-3-propanenitrile

Basic Attributes
Characteristics
Computed Properties

1H-Indole-3-propanenitrile

SDS

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