α-Cyclopentylmandelic acid
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α-Cyclopentylmandelic acid
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CAS No:
427-49-6
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Formula:
C13H16O3
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Chemical Name:
α-Cyclopentylmandelic acid
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Synonyms:
Benzeneacetic acid,α-cyclopentyl-α-hydroxy-;Mandelic acid,α-cyclopentyl-;α-Cyclopentyl-α-hydroxybenzeneacetic acid;Cyclopentylphenylglycolic acid;α-Cyclopentylmandelic acid;NSC 96637;2-Cyclopentyl-2-hydroxy-2-(phenyl)acetic acid;(±)-Cyclopentylmandelic acid;Cyclopentylhydroxyphenylacetic acid;64471-41-6
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CAS No:
Characteristics
57.5
2.5
White to pale brown Solid
1.2±0.1 g/cm3
147-148 °C
110 °C (0.5 mmHg)
207.2±18.8 °C
1.590
Safety Information
IRRITANT
3261
3
34-41-37/38
45-36/37/39-26-39
C,Xi
P261-P280-P305 + P351 + P338
H315-H318-H335
α-Cyclopentylmandelic acid Use and Manufacturing
intermediate for Glycopyrronium Bromide, Oxyphencyclimine HCl, Oxypyrronium Bromide
Computed Properties
Molecular Weight:220.26
XLogP3:2.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:220.109944368
Monoisotopic Mass:220.109944368
Topological Polar Surface Area:57.5
Heavy Atom Count:16
Complexity:252
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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