Benzoic acid, 4-[3-(acetyloxy)-2-methylpropyl]-, methyl ester, (S)- (9CI)
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![Benzoic acid, 4-[3-(acetyloxy)-2-methylpropyl]-, methyl ester, (S)- (9CI) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/9d3ef3d849bb454fb38eef6f837e7c62.png "Benzoic acid, 4-[3-(acetyloxy)-2-methylpropyl]-, methyl ester, (S)- (9CI)")
Benzoic acid, 4-[3-(acetyloxy)-2-methylpropyl]-, methyl ester, (S)- (9CI)
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CAS No:
170955-24-5
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Formula:
C14H18O4
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Chemical Name:
Benzoic acid, 4-[3-(acetyloxy)-2-methylpropyl]-, methyl ester, (S)- (9CI)
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Synonyms:
Methyl 4-[(2S)-3-acetoxy-2-methylpropyl]benzoate;ZINC39117814;4-[(S)-2-Methyl-3-acetoxypropyl]benzoic acid methyl ester
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CAS No:
Benzoic acid, 4-[3-(acetyloxy)-2-methylpropyl]-, methyl ester, (S)- (9CI) Basic Attributes
250.29032
250.121
Computed Properties
Molecular Weight:250.29
XLogP3:2.7
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:250.12050905
Monoisotopic Mass:250.12050905
Topological Polar Surface Area:52.6
Heavy Atom Count:18
Complexity:280
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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