Benzeneacetic acid, -alpha--(hydroxymethyl)-4-(2-methylpropyl)- (9CI)
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Benzeneacetic acid, -alpha--(hydroxymethyl)-4-(2-methylpropyl)- (9CI)
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CAS No:
64730-72-9
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Formula:
C13H18O3
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Chemical Name:
Benzeneacetic acid, -alpha--(hydroxymethyl)-4-(2-methylpropyl)- (9CI)
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Synonyms:
3-hydroxy-2-[4-(2-methylpropyl)phenyl]propanoic Acid;3-Hydroxy-2-(4-(2-methylpropyl)phenyl)propanoic acid;3-hydroxy-ibuprofen;CTK2F7980;DTXSID80983367
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CAS No:
Benzeneacetic acid, -alpha--(hydroxymethyl)-4-(2-methylpropyl)- (9CI) Basic Attributes
222.28022
222.126
Computed Properties
Molecular Weight:222.28
XLogP3:2.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:222.125594432
Monoisotopic Mass:222.125594432
Topological Polar Surface Area:57.5
Heavy Atom Count:16
Complexity:217
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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