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5-ACETYL-2-HYDROXY-4-METHYLTHIOPHENE-3-CARBONITRILE

5-ACETYL-2-HYDROXY-4-METHYLTHIOPHENE-3-CARBONITRILE structure

CAS No:
120456-32-8
Formula:
C8H7NO2S
Chemical Name:
5-ACETYL-2-HYDROXY-4-METHYLTHIOPHENE-3-CARBONITRILE
Synonyms:
5-acetyl-2-hydroxy-4-methylthiophene-3-carbonitrile;3-Thiophenecarbonitrile,5-acetyl-2-hydroxy-4-methyl-;ACMC-1C3YB;2-HYDROXYTETRACOSANOICACID;CTK4B1879;DTXSID70406999;ZINC4205824;AKOS000117198;MCULE-3845502241;DB-061746

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5-ACETYL-2-HYDROXY-4-METHYLTHIOPHENE-3-CARBONITRILE Basic Attributes

Molecular Weight：

181.209

Exact Mass：

181.02000

DSSTox ID：

DTXSID70406999

HScode：

2934999090

Characteristics

PSA：

89.3

XLogP3：

1.83638

Density：

1.36g/cm3

Boiling Point：

408.5ºC at 760mmHg

Flash Point：

200.9ºC

Refractive Index：

1.591

Vapor Pressure：

2.95E-07mmHg at 25°C

Computed Properties

Molecular Weight:181.21
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:181.01974964
Monoisotopic Mass:181.01974964
Topological Polar Surface Area:89.3
Heavy Atom Count:12
Complexity:245
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-ACETYL-2-HYDROXY-4-METHYLTHIOPHENE-3-CARBONITRILE

Basic Attributes
Characteristics
Computed Properties

5-ACETYL-2-HYDROXY-4-METHYLTHIOPHENE-3-CARBONITRILE

SDS

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