Benzylpenillic acid
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Benzylpenillic acid
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CAS No:
13093-87-3
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Formula:
C16H18N2O4S
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Chemical Name:
Benzylpenillic acid
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Synonyms:
Imidazo[5,1-b]thiazole-3,7-dicarboxylic acid,2,3,7,7a-tetrahydro-2,2-dimethyl-5-(phenylmethyl)-;Imidazo[5,1-b]thiazole-3,7-dicarboxylic acid,5-benzyl-2,3,7,7a-tetrahydro-2,2-dimethyl-;2,3,7,7a-Tetrahydro-2,2-dimethyl-5-(phenylmethyl)imidazo[5,1-b]thiazole-3,7-dicarboxylic acid;Benzylpenillic acid;NSC 76064;4302-64-1
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CAS No:
Computed Properties
Molecular Weight:334.4
XLogP3:1.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:334.09872823
Monoisotopic Mass:334.09872823
Topological Polar Surface Area:116
Heavy Atom Count:23
Complexity:542
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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