5-tert-butyl-3-oxo-2,1-benzoxathiole-7-carboxylic acid
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5-tert-butyl-3-oxo-2,1-benzoxathiole-7-carboxylic acid
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CAS No:
69105-26-6
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Formula:
C12H12O4S
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Chemical Name:
5-tert-butyl-3-oxo-2,1-benzoxathiole-7-carboxylic acid
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Synonyms:
5-tert-Butyl-3-oxo-3H-2,1-benzoxathiol-7-carbonsaeure; 3H-2,1-Benzoxathiole-7-carboxylicacid,5-(1,1-dimethylethyl)-3-oxo;
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CAS No:
5-tert-butyl-3-oxo-2,1-benzoxathiole-7-carboxylic acid Basic Attributes
252.28600
252.04563003 g/mol
312843
DTXSID00317226
Computed Properties
Molecular Weight:252.29
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:252.04563003
Monoisotopic Mass:252.04563003
Topological Polar Surface Area:88.9
Heavy Atom Count:17
Complexity:347
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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