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3-Hydroxybenzo[b]thiophene-2-carbonitrile

3-Hydroxybenzo[b]thiophene-2-carbonitrile structure

CAS No:
57477-69-7
Formula:
C9H5NOS
Chemical Name:
3-Hydroxybenzo[b]thiophene-2-carbonitrile
Synonyms:
Benzo[b]thiophene-2-carbonitrile,3-hydroxy-;3-Hydroxybenzo[b]thiophene-2-carbonitrile;2-Cyano-3-hydroxybenzothiophene;NSC 170717;3-Hydroxy-1-benzothiophene-2-carbonitrile

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3-Hydroxybenzo[b]thiophene-2-carbonitrile Basic Attributes

Molecular Weight：

175.20700

Exact Mass：

175.21

NSC Number：

170717

DSSTox ID：

DTXSID50305411

Characteristics

PSA：

72.26000

XLogP3：

2.47858

Density：

1.44g/cm3

Melting Point：

173-174 °C

Boiling Point：

379.1ºC at 760 mmHg

Flash Point：

183.1ºC

Refractive Index：

1.73

Computed Properties

Molecular Weight:175.21
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:175.00918496
Monoisotopic Mass:175.00918496
Topological Polar Surface Area:72.3
Heavy Atom Count:12
Complexity:222
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Hydroxybenzo[b]thiophene-2-carbonitrile

Basic Attributes
Characteristics
Computed Properties

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