4′-Octyl[1,1′-biphenyl]-4-carboxylic acid
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![4′-Octyl[1,1′-biphenyl]-4-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/a5dc1b1c68724147bd32aa6d12657470.png "4′-Octyl[1,1′-biphenyl]-4-carboxylic acid")
4′-Octyl[1,1′-biphenyl]-4-carboxylic acid
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CAS No:
59662-49-6
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Formula:
C21H26O2
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Chemical Name:
4′-Octyl[1,1′-biphenyl]-4-carboxylic acid
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Synonyms:
[1,1′-Biphenyl]-4-carboxylic acid,4′-octyl-;4′-Octyl[1,1′-biphenyl]-4-carboxylic acid;4′-Octylbiphenyl-4-carboxylic acid;8BCA;4′-n-Octylbiphenyl-4-carboxylic acid;AC 55649;4′-Octyl-1,1′-biphenyl-4-carboxylic acid
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CAS No:
4′-Octyl[1,1′-biphenyl]-4-carboxylic acid Basic Attributes
310.43000
310.43
DTXSID30364925
2916399090
Characteristics
37.30000
5.95480
1.037g/cm3
148-152 °C @ Solvent: Dichloromethane
462ºC at 760 mmHg
216.9ºC
1.548
Store at +4ºC
Safety Information
H413
H413 (97.44%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]|P273, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:310.4
XLogP3:7.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:9
Exact Mass:310.193280068
Monoisotopic Mass:310.193280068
Topological Polar Surface Area:37.3
Heavy Atom Count:23
Complexity:323
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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