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5-Acetyl-2-hydroxybenzonitrile

5-Acetyl-2-hydroxybenzonitrile structure

CAS No:
39055-82-8
Formula:
C9H7NO2
Chemical Name:
5-Acetyl-2-hydroxybenzonitrile
Synonyms:
Benzonitrile,5-acetyl-2-hydroxy-;5-Acetyl-2-hydroxybenzonitrile;5-Acetylsalicylonitrile;1-(3-Cyano-4-hydroxyphenyl)ethanone

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5-Acetyl-2-hydroxybenzonitrile Basic Attributes

Molecular Weight：

161.16

Exact Mass：

161.16

DSSTox ID：

DTXSID60600383

HScode：

2926909090

Characteristics

PSA：

61.1

XLogP3：

1.46648

Density：

1.268g/cm3

Melting Point：

78 °C

Boiling Point：

362.081ºC at 760 mmHg

Flash Point：

172.78ºC

Refractive Index：

1.579

Computed Properties

Molecular Weight:161.16
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:161.047678466
Monoisotopic Mass:161.047678466
Topological Polar Surface Area:61.1
Heavy Atom Count:12
Complexity:228
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-Acetyl-2-hydroxybenzonitrile

Basic Attributes
Characteristics
Computed Properties

5-Acetyl-2-hydroxybenzonitrile

SDS

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