Benzoic acid, 3-amino-4-(methylthio)-, methyl ester (9CI)
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Benzoic acid, 3-amino-4-(methylthio)-, methyl ester (9CI)
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CAS No:
141238-13-3
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Formula:
C9H11NO2S
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Chemical Name:
Benzoic acid, 3-amino-4-(methylthio)-, methyl ester (9CI)
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Synonyms:
methyl 3-amino-4-(methylthio)benzoate;SCHEMBL7360846;ZINC39084471;AKOS010560826;methyl 3-amino-4-methylsulfanylbenzoate;Methyl 3-amino-4-(methylsulfanyl)benzoate
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CAS No:
Computed Properties
Molecular Weight:197.26
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:197.05104977
Monoisotopic Mass:197.05104977
Topological Polar Surface Area:77.6
Heavy Atom Count:13
Complexity:187
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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