3′-Methyl[1,1′-biphenyl]-4-carboxylic acid
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![3′-Methyl[1,1′-biphenyl]-4-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/ba99f94b350b485e802545108cbc5cb4.png "3′-Methyl[1,1′-biphenyl]-4-carboxylic acid")
3′-Methyl[1,1′-biphenyl]-4-carboxylic acid
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CAS No:
5728-33-6
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Formula:
C14H12O2
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Chemical Name:
3′-Methyl[1,1′-biphenyl]-4-carboxylic acid
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Synonyms:
[1,1′-Biphenyl]-4-carboxylic acid,3′-methyl-;4-Biphenylcarboxylic acid,3′-methyl-;3′-Methyl[1,1′-biphenyl]-4-carboxylic acid;3′-Methyl-4-biphenylcarboxylic acid;3′-Methyl-1,1′-biphenyl-4-carboxylic acid
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CAS No:
Characteristics
37.30000
3.36020
1.156
188-189 °C
375.7ºC at 760mmHg
173.3ºC
Slightly soluble in water.
Safety Information
Xi
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501
H302
|Warning|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:212.24
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:212.083729621
Monoisotopic Mass:212.083729621
Topological Polar Surface Area:37.3
Heavy Atom Count:16
Complexity:241
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3′-Methyl[1,1′-biphenyl]-4-carboxylic acid
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