[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 9,10,10-trioxothioxanthene-3-carboxylate
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![[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 9,10,10-trioxothioxanthene-3-carboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/7e4c14f7122746f2a9dbc673f36d3645.png "[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 9,10,10-trioxothioxanthene-3-carboxylate")
[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 9,10,10-trioxothioxanthene-3-carboxylate
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CAS No:
453512-20-4
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Formula:
C25H15N3O6S
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Chemical Name:
[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 9,10,10-trioxothioxanthene-3-carboxylate
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Synonyms:
ZINC6017345;Z19802952;3-cyano-3-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-2-oxopropyl 9,10,10-trioxo-9H-10lambda6-thioxanthene-3-carboxylate;453512-20-4
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CAS No:
[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 9,10,10-trioxothioxanthene-3-carboxylate Basic Attributes
485.5 g/mol
485.06815638 g/mol
Computed Properties
Molecular Weight:485.5
XLogP3:2.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:485.06815638
Monoisotopic Mass:485.06815638
Topological Polar Surface Area:159
Heavy Atom Count:35
Complexity:1060
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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