3-methyl-5-(4-methylphenyl)-5-oxopentanoic acid
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3-methyl-5-(4-methylphenyl)-5-oxopentanoic acid
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CAS No:
14618-94-1
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Formula:
C13H16O3
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Chemical Name:
3-methyl-5-(4-methylphenyl)-5-oxopentanoic acid
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Synonyms:
3-methyl-5-oxo-5-p-tolyl-valeric acid; 3-Methyl-5-oxo-5-p-tolyl-valeriansaeure;
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CAS No:
3-methyl-5-(4-methylphenyl)-5-oxopentanoic acid Basic Attributes
220.26400
220.109944368
DTXSID70374982
2918300090
Computed Properties
Molecular Weight:220.26
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:220.109944368
Monoisotopic Mass:220.109944368
Topological Polar Surface Area:54.4
Heavy Atom Count:16
Complexity:252
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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