5-acetyl-2-mercapto-Benzoic acid
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5-acetyl-2-mercapto-Benzoic acid
structure -
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CAS No:
107191-10-6
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Formula:
C9H8O3S
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Chemical Name:
5-acetyl-2-mercapto-Benzoic acid
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Synonyms:
5-Acetyl-2-sulfanylbenzoic acid;5-Acetyl-2-mercaptobenzoic acid;SCHEMBL3183610;CTK4A5049;DTXSID90545238;ZINC34108887;AKOS005137995;5-ACETYL-2-MERCAPTO-BENZOIC ACID;SC-21653
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CAS No:
Characteristics
55.4
1.3
1.343±0.06 g/cm3(Predicted)
404.654ºC at 760 mmHg
198.528ºC
1.621
0mmHg at 25°C
Computed Properties
Molecular Weight:196.22
XLogP3:1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:196.01941529
Monoisotopic Mass:196.01941529
Topological Polar Surface Area:55.4
Heavy Atom Count:13
Complexity:227
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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5-acetyl-2-mercapto-Benzoic acid
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