α-Methyl-4-(2-methyl-1-propen-1-yl)benzeneacetic acid
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α-Methyl-4-(2-methyl-1-propen-1-yl)benzeneacetic acid
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CAS No:
75625-99-9
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Formula:
C13H16O2
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Chemical Name:
α-Methyl-4-(2-methyl-1-propen-1-yl)benzeneacetic acid
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Synonyms:
Benzeneacetic acid,α-methyl-4-(2-methyl-1-propen-1-yl)-;Benzeneacetic acid,α-methyl-4-(2-methyl-1-propenyl)-;α-Methyl-4-(2-methyl-1-propen-1-yl)benzeneacetic acid;Gx 258;2-[4-(2-Methylpropenyl)phenyl]propionic Acid;2-[4-(2-Methylprop-1-en-1-yl)phenyl]propanoic acid;107672-15-1
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CAS No:
Characteristics
37.3 Ų
1.067±0.06 g/cm3
50-52 °C @ Solvent: Hexane
333.7±11.0 °C(Predicted)
LD50 oral in rat: 1295mg/kg
4.44±0.10
Computed Properties
Molecular Weight:204.26
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:204.115029749
Monoisotopic Mass:204.115029749
Topological Polar Surface Area:37.3
Heavy Atom Count:15
Complexity:243
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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