2-methyl-4-oxo-4-phenylbutanoic acid
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2-methyl-4-oxo-4-phenylbutanoic acid
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CAS No:
1771-65-9
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Formula:
C11H12O3
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Chemical Name:
2-methyl-4-oxo-4-phenylbutanoic acid
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Synonyms:
2-methyl-4-phenyl-4-oxobutanoic acid; 2-methyl-4-oxo-4-phenyl-butyric acid; 3-benzoyl-2-D-methylpropanoic acid;
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CAS No:
Characteristics
54.37000
1.98010
White Powder or Crystals
1.161g/cm3
140-142ºC(lit.)
360.9ºC at 760 mmHg
186.3ºC
1.537
7.71E-06mmHg at 25°C
Computed Properties
Molecular Weight:192.21
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:192.078644241
Monoisotopic Mass:192.078644241
Topological Polar Surface Area:54.4
Heavy Atom Count:14
Complexity:217
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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