Benzoic acid, 4-[2-(acetyloxy)-1-methylethyl]-, (S)- (9CI)
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Benzoic acid, 4-[2-(acetyloxy)-1-methylethyl]-, (S)- (9CI)
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CAS No:
145621-78-9
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Formula:
C12H14O4
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Chemical Name:
Benzoic acid, 4-[2-(acetyloxy)-1-methylethyl]-, (S)- (9CI)
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Synonyms:
4-[(2S)-1-Acetoxy-2-propanyl]benzoic acid;ZINC34117040
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CAS No:
Computed Properties
Molecular Weight:222.24
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:222.08920892
Monoisotopic Mass:222.08920892
Topological Polar Surface Area:63.6
Heavy Atom Count:16
Complexity:254
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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