5-(1,1-Dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylic acid
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![5-(1,1-Dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/31ab75aa78894008a7441e880538f042.png "5-(1,1-Dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylic acid")
5-(1,1-Dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylic acid
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CAS No:
126231-22-9
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Formula:
C13H18O2S
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Chemical Name:
5-(1,1-Dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylic acid
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Synonyms:
Benzo[b]thiophene-2-carboxylic acid,5-(1,1-dimethylethyl)-4,5,6,7-tetrahydro-;5-(1,1-Dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylic acid
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CAS No:
5-(1,1-Dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylic acid Basic Attributes
238.34600
238.35
DTXSID50396743
2934999090
Characteristics
65.54000
3.59730
1.165g/cm3
198-200 °C @ Solvent: Methanol, Water
382.6ºC at 760 mmHg
185.2ºC
1.564
1.55E-06mmHg at 25°C
Safety Information
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, 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:238.35
XLogP3:4.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:238.10275099
Monoisotopic Mass:238.10275099
Topological Polar Surface Area:65.5
Heavy Atom Count:16
Complexity:282
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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