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Benzo[b]thiophene-3-acetic acid

Benzo[b]thiophene-3-acetic acid structure

Benzo[b]thiophene-3-acetic acid 

structure
  • CAS No:

    1131-09-5

  • Formula:

    C10H8O2S

  • Chemical Name:

    Benzo[b]thiophene-3-acetic acid

  • Synonyms:

    Benzo[b]thiophene-3-acetic acid;3-Benzo[b]thiopheneacetic acid;3-Benzo[b]thienylacetic acid;2-(Benzo[b]thiophen-3-yl)acetic acid;Benzo[b]thiophen-3-ylacetic acid;NSC 18875;NSC 93635;1-Benzothiophene-3-acetic acid;3-Benzothiopheneacetic acid;(Benzothien-3-yl)acetic acid;2-(1-Benzothiophen-3-yl)acetic acid

  • Categories:

    Chemical Reagents  >  Organic Reagents

Benzo[b]thiophene-3-acetic acid Basic Attributes

192.23

192.23

143357

214-461-2

93635|18875

DTXSID70150283

2934999090

Characteristics

65.5

3.67

1.4±0.1 g/cm3

109 °C

378.7±17.0 °C at 760 mmHg

182.9±20.9 °C

1.688

2.07E-06mmHg at 25°C

Safety Information

22-36/37/38-36

26-36/37/39

AF4800000

Xi,Xn

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

H302

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:192.24
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:192.02450067
Monoisotopic Mass:192.02450067
Topological Polar Surface Area:65.5
Heavy Atom Count:13
Complexity:205
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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