α,β-Dimethylbenzenepropanoic acid
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α,β-Dimethylbenzenepropanoic acid
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CAS No:
19731-91-0
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Formula:
C11H14O2
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Chemical Name:
α,β-Dimethylbenzenepropanoic acid
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Synonyms:
Benzenepropanoic acid,α,β-dimethyl-;Hydrocinnamic acid,α,β-dimethyl-;α,β-Dimethylbenzenepropanoic acid;2-Methyl-3-phenylbutyric acid;2-Methyl-3-phenylbutanoic acid
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CAS No:
Safety Information
|Warning|H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P264, P272, P280, P302+P352, P305+P351+P338, P321, P333+P313, P337+P313, P363, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:178.23
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:178.099379685
Monoisotopic Mass:178.099379685
Topological Polar Surface Area:37.3
Heavy Atom Count:13
Complexity:171
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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