2-(1-phenylethyl)propanedioic acid
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2-(1-phenylethyl)propanedioic acid
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CAS No:
41103-90-6
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Formula:
C11H12O4
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Chemical Name:
2-(1-phenylethyl)propanedioic acid
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Synonyms:
41103-90-6;2-(1-phenylethyl)malonic acid;2-(1-phenylethyl)propanedioic acid;NSC100951;Propanedioic acid, 2-(1-phenylethyl)-;NCIOpen2_006815;(1-phenyl-ethyl)-malonic acid;SCHEMBL2454614;2-(phenylethyl)propanedioic acid;SBB094022;NSC 100951;NSC-100951;Benzenepropanoic acid, 2-carboxy-?-methyl-;D-1044;AG-670/02629020;103988-45-0
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CAS No:
Computed Properties
Molecular Weight:208.21
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:208.07355886
Monoisotopic Mass:208.07355886
Topological Polar Surface Area:74.6
Heavy Atom Count:15
Complexity:229
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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