2-(Acetylthio)benzoic acid
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2-(Acetylthio)benzoic acid
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CAS No:
55819-78-8
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Formula:
C9H8O3S
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Chemical Name:
2-(Acetylthio)benzoic acid
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Synonyms:
Benzoic acid,2-(acetylthio)-;Benzoic acid,o-mercapto-,acetate;2-(Acetylthio)benzoic acid;Thioaspirin;2-Mercaptobenzoic acid S-acetate;o-(Acetylthio)benzoic acid;S-Acetylthiosalicylic acid;2-(Acetylmercapto)benzoic acid;NSC 49190;2-(Acetylsulfanyl)benzoic acid;79639-44-4
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CAS No:
2-(Acetylthio)benzoic acid Basic Attributes
196.22300
196.22
09HZA2Q5EA
49190
DTXSID30204413
2930909090
Characteristics
79.67000
2.02340
1.35g/cm3
125 °C @ Solvent: Benzene
343.9ºC at 760 mmHg
161.8ºC
1.612
Computed Properties
Molecular Weight:196.22
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:196.01941529
Monoisotopic Mass:196.01941529
Topological Polar Surface Area:79.7
Heavy Atom Count:13
Complexity:215
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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