CHEMBRDG-BB 9045617
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CHEMBRDG-BB 9045617
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CAS No:
899016-21-8
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Formula:
C11H13NO3S
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Chemical Name:
CHEMBRDG-BB 9045617
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Synonyms:
CHEMBRDG-BB 9045617;4-([2-(METHYLTHIO)PHENYL]AMINO)-4-OXOBUTANOIC ACID;butanoic acid, 4-[[2-(methylthio)phenyl]amino]-4-oxo-;4-{[2-(methylthio)phenyl]amino}-4-oxobutanoic acid(SALTDATA: FREE);4-[(2-methylsulfanylphenyl)amino]-4-oxobutanoic acid;4-[(2-methylsulfanylphenyl)amino]-4-oxo-butanoic acid;4-keto-4-[[2-(methylthio)phenyl]amino]butyric acid;IVK/0014142
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CAS No:
Computed Properties
Molecular Weight:239.29
XLogP3:1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:239.06161445
Monoisotopic Mass:239.06161445
Topological Polar Surface Area:91.7
Heavy Atom Count:16
Complexity:258
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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