Brassicanal A
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Brassicanal A
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CAS No:
113866-44-7
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Formula:
C10H9NOS
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Chemical Name:
Brassicanal A
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Synonyms:
1H-Indole-3-carboxaldehyde,2-(methylthio)-;2-(Methylthio)-1H-indole-3-carboxaldehyde;Brassicanal A;2-(Methylsulfanyl)-1H-indole-3-carbaldehyde;2-Methylsulfanyl-1H-indole-3-carbaldehyde
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CAS No:
Computed Properties
Molecular Weight:191.25
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:191.04048508
Monoisotopic Mass:191.04048508
Topological Polar Surface Area:58.2
Heavy Atom Count:13
Complexity:197
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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