1-Benzothiophene-6-carboxylic acid
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1-Benzothiophene-6-carboxylic acid
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CAS No:
6179-26-6
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Formula:
C9H6O2S
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Chemical Name:
1-Benzothiophene-6-carboxylic acid
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Synonyms:
benzo[b]thiophene-6-carboxylic acid;1-Benzothiophene-6-carboxylic acid;6179-26-6;Benzo(b)thiophene-6-carboxylic acid;SCHEMBL1891764;ZINC32220939;1-Benzothiophene-6-carboxylic acid #;AKOS004123259;AS06416;CM10726
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CAS No:
Characteristics
65.5
2.5
1.419±0.06 g/cm3(Predicted)
236 °C(Solv: ethanol (64-17-5); water (7732-18-5))
Safety Information
|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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:178.21
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:178.00885060
Monoisotopic Mass:178.00885060
Topological Polar Surface Area:65.5
Heavy Atom Count:12
Complexity:193
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1-Benzothiophene-6-carboxylic acid
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