Benzoic acid, 4-(2-methyl-3-oxopropyl)-, methyl ester, (S)- (9CI)
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Benzoic acid, 4-(2-methyl-3-oxopropyl)-, methyl ester, (S)- (9CI)
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CAS No:
204587-79-1
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Formula:
C12H14O3
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Chemical Name:
Benzoic acid, 4-(2-methyl-3-oxopropyl)-, methyl ester, (S)- (9CI)
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Synonyms:
Methyl 4-[(2S)-2-methyl-3-oxopropyl]benzoate;ZINC39117794
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CAS No:
Benzoic acid, 4-(2-methyl-3-oxopropyl)-, methyl ester, (S)- (9CI) Basic Attributes
206.23776
206.094
Computed Properties
Molecular Weight:206.24
XLogP3:2.6
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:206.094294304
Monoisotopic Mass:206.094294304
Topological Polar Surface Area:43.4
Heavy Atom Count:15
Complexity:217
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Benzoic acid, 4-(2-methyl-3-oxopropyl)-, methyl ester, (S)- (9CI)
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