2-Methyl-δ-oxobenzenepentanoic acid
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2-Methyl-δ-oxobenzenepentanoic acid
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CAS No:
36978-50-4
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Formula:
C12H14O3
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Chemical Name:
2-Methyl-δ-oxobenzenepentanoic acid
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Synonyms:
Benzenepentanoic acid,2-methyl-δ-oxo-;2-Methyl-δ-oxobenzenepentanoic acid;γ-(o-Methylbenzoyl)butyric acid;5-Oxo-5-(o-tolyl)pentanoic acid
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CAS No:
Characteristics
54.37000
2.43260
1.137g/cm3
80 °C @ Solvent: Water
392.8ºC at 760 mmHg
205.6ºC
1.536
Computed Properties
Molecular Weight:206.24
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:206.094294304
Monoisotopic Mass:206.094294304
Topological Polar Surface Area:54.4
Heavy Atom Count:15
Complexity:235
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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