[1,1′-Biphenyl]-3-carboxylic acid
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![[1,1′-Biphenyl]-3-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/70a9f7896c2440ac9ff00cc906bd5e87.png "[1,1′-Biphenyl]-3-carboxylic acid")
[1,1′-Biphenyl]-3-carboxylic acid
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CAS No:
716-76-7
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Formula:
C13H10O2
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Chemical Name:
[1,1′-Biphenyl]-3-carboxylic acid
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Synonyms:
[1,1′-Biphenyl]-3-carboxylic acid;3-Biphenylcarboxylic acid;Benzoic acid,m-phenyl-;3-Phenylbenzoic acid;m-Phenylbenzoic acid;NSC 178898;NSC 408030;1-Carboxy-3-phenylbenzene
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CAS No:
[1,1′-Biphenyl]-3-carboxylic acid Basic Attributes
198.22
198.22
211-938-7
408030|178898
DTXSID40221833
2916399090
Characteristics
37.3
3.5
Off-white to beige Crystalline Powder
1.2±0.1 g/cm3
183 °C
107 °C @ Press: 2 Torr
177.3±16.7 °C
1.607
H2O: Insoluble
Safety Information
IRRITANT
UN 3077 9 / PGIII
3
36/37/38-51/53-36-22
37/39-26-61-53
TY3100000
Xi,Xn
Irritant
P305 + P351 + P338
H302-H319
|Warning|H302 (95.24%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501|Aggregated GHS information provided by 42 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
[1,1′-Biphenyl]-3-carboxylic acid Use and Manufacturing
3-Biphenylcarboxylic Acid is a ortho-substituted biphenyl with inhibitory effect on glyceride synthesis. 3-Biphenylcarboxylic Acid is an anlogue of Diflusinal (D445751) and shows allosteric modulatory effects.
Computed Properties
Molecular Weight:198.22
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:198.068079557
Monoisotopic Mass:198.068079557
Topological Polar Surface Area:37.3
Heavy Atom Count:15
Complexity:219
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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[1,1′-Biphenyl]-3-carboxylic acid
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