2-Butanone, 3-(1H-1,2,4-triazol-1-yl)- (9CI)
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2-Butanone, 3-(1H-1,2,4-triazol-1-yl)- (9CI)
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CAS No:
111451-34-4
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Formula:
C6H9N3O
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Chemical Name:
2-Butanone, 3-(1H-1,2,4-triazol-1-yl)- (9CI)
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Synonyms:
3-(1H-1,2,4-Triazol-1-yl)-2-butanone;106836-80-0;1-(3-Oxobut-2-yl)-1H-1,2,4-triazole;3-(1H-1,2,4-Triazol-1-yl)butan-2-one;3-(1,2,4-triazol-1-yl)butan-2-one;SCHEMBL9366536;CTK4A4793;KS-00001SM5;3-(1,2,4-triazolyl)butan-2-one;8334AC
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CAS No:
Computed Properties
Molecular Weight:139.16
XLogP3:0.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:139.074561919
Monoisotopic Mass:139.074561919
Topological Polar Surface Area:47.8
Heavy Atom Count:10
Complexity:137
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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