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1-(3-hydroxybenzo[b]thien-2-yl)-Ethanon

1-(3-hydroxybenzo[b]thien-2-yl)-Ethanon structure

CAS No:
3260-92-2
Formula:
C10H8O2S
Chemical Name:
1-(3-hydroxybenzo[b]thien-2-yl)-Ethanon
Synonyms:
1-(3-hydroxybenzo[b]thien-2-yl)-Ethanon;1-(3-hydroxy-1-benzothien-2-yl)ethanone;2-acetyl-3-hydroxybenzo[b]thiophene;Ethanone, 1-(3-hydroxybenzo[b]thien-2-yl)-

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1-(3-hydroxybenzo[b]thien-2-yl)-Ethanon Basic Attributes

Molecular Weight：

192.23

Exact Mass：

192.02450067

HScode：

2934999090

Characteristics

PSA：

65.54000

XLogP3：

2.80950

Density：

1.344±0.06 g/cm3

Melting Point：

81 °C

Boiling Point：

337.8±22.0 °C(Predicted)

PKA：

7.47±0.50

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:192.24
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:192.02450067
Monoisotopic Mass:192.02450067
Topological Polar Surface Area:65.5
Heavy Atom Count:13
Complexity:217
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(3-hydroxybenzo[b]thien-2-yl)-Ethanon

Basic Attributes
Characteristics
Safety Information
Computed Properties

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