α-Ethylbenzenepropanoic acid
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α-Ethylbenzenepropanoic acid
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CAS No:
5669-16-9
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Formula:
C11H14O2
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Chemical Name:
α-Ethylbenzenepropanoic acid
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Synonyms:
Benzenepropanoic acid,α-ethyl-;Hydrocinnamic acid,α-ethyl-;α-Ethylbenzenepropanoic acid;2-Benzylbutanoic acid;α-Ethyldihydrocinnamic acid;2-Ethyl-3-phenylpropionic acid;89496-36-6
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CAS No:
Characteristics
37.3
2.33990
1.068g/cm3
90 °C @ Solvent: Hexane
168 °C @ Press: 14 Torr
192.4ºC
1.526
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:178.23
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:178.099379685
Monoisotopic Mass:178.099379685
Topological Polar Surface Area:37.3
Heavy Atom Count:13
Complexity:160
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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