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2-hydroxy-3-tert-butylbenzonitrile

2-hydroxy-3-tert-butylbenzonitrile structure

CAS No:
340131-70-6
Formula:
C11H13NO
Chemical Name:
2-hydroxy-3-tert-butylbenzonitrile
Synonyms:
2-hydroxy-3-tert-butyl benzonitrile;3-tert-butyl-2-hydroxybenzonitrile;Benzonitrile, 3-(1,1-dimethylethyl)-2-hydroxy-

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2-hydroxy-3-tert-butylbenzonitrile Basic Attributes

Molecular Weight：

175.23

Exact Mass：

175.099714038

Characteristics

PSA：

44.02000

XLogP3：

2.56138

Density：

1.07±0.1 g/cm3

Melting Point：

131-132 °C

Boiling Point：

276.2±28.0 °C(Predicted)

PKA：

8.54±0.10

Computed Properties

Molecular Weight:175.23
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:175.099714038
Monoisotopic Mass:175.099714038
Topological Polar Surface Area:44
Heavy Atom Count:13
Complexity:220
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-hydroxy-3-tert-butylbenzonitrile

Basic Attributes
Characteristics
Computed Properties

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