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2-([4-(2,5-DIMETHYL-1H-PYRROL-1-YL)PHENYL]METHYLENE)MALONONITRILE

2-([4-(2,5-DIMETHYL-1H-PYRROL-1-YL)PHENYL]METHYLENE)MALONONITRILE structure

CAS No:
771567-64-7
Formula:
C16H13N3
Chemical Name:
2-([4-(2,5-DIMETHYL-1H-PYRROL-1-YL)PHENYL]METHYLENE)MALONONITRILE
Synonyms:
2-([4-(2,5-DIMETHYL-1H-PYRROL-1-YL)PHENYL]METHYLENE)MALONONITRILE;RARECHEM AL BX 1036;2-(4-(2,5-Dimethyl-1H-pyrrol-1-yl)benzylidene)malononitrile;Propanedinitrile, 2-[[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]methylene]-

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2-([4-(2,5-DIMETHYL-1H-PYRROL-1-YL)PHENYL]METHYLENE)MALONONITRILE Basic Attributes

Molecular Weight：

247.29

Exact Mass：

247.110947427

DSSTox ID：

DTXSID60377346

HScode：

2933990090

Characteristics

PSA：

52.51000

XLogP3：

3.52466

Density：

1.04±0.1 g/cm3

Melting Point：

124-127°C

Boiling Point：

432.9±45.0 °C(Predicted)

PKA：

-3.25±0.70

Safety Information

Hazard category：

IRRITANT

Computed Properties

Molecular Weight:247.29
XLogP3:3.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:247.110947427
Monoisotopic Mass:247.110947427
Topological Polar Surface Area:52.5
Heavy Atom Count:19
Complexity:411
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-([4-(2,5-DIMETHYL-1H-PYRROL-1-YL)PHENYL]METHYLENE)MALONONITRILE

Basic Attributes
Characteristics
Safety Information
Computed Properties

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