2-ACETOXY-4-PHENYLBUTANOIC ACID
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2-ACETOXY-4-PHENYLBUTANOIC ACID
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CAS No:
883723-47-5
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Formula:
C12H14O4
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Chemical Name:
2-ACETOXY-4-PHENYLBUTANOIC ACID
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Synonyms:
2-Acetoxy-4-phenylbutanoic acid;2-acetyloxy-4-phenylbutanoic acid;SCHEMBL7344014;DTXSID90563871;2-(Acetyloxy)-4-phenylbutanoic acid
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CAS No:
Computed Properties
Molecular Weight:222.24
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:222.08920892
Monoisotopic Mass:222.08920892
Topological Polar Surface Area:63.6
Heavy Atom Count:16
Complexity:243
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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