4H-1,2,4-Triazolium, 1-[7-(4-ethyl-5-methyl-2H-1,2,3-triazol-2-yl)-2-oxo-2H-1-benzopyran-3-yl]-4-methyl-, methyl sulfate (1:1)
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![4H-1,2,4-Triazolium, 1-[7-(4-ethyl-5-methyl-2H-1,2,3-triazol-2-yl)-2-oxo-2H-1-benzopyran-3-yl]-4-methyl-, methyl sulfate (1:1) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/fa97c87ca56e4df9bd581ce26e2bba8f.png "4H-1,2,4-Triazolium, 1-[7-(4-ethyl-5-methyl-2H-1,2,3-triazol-2-yl)-2-oxo-2H-1-benzopyran-3-yl]-4-methyl-, methyl sulfate (1:1)")
4H-1,2,4-Triazolium, 1-[7-(4-ethyl-5-methyl-2H-1,2,3-triazol-2-yl)-2-oxo-2H-1-benzopyran-3-yl]-4-methyl-, methyl sulfate (1:1)
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CAS No:
29641-53-0
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Formula:
C17H17N6O2.CH3O4S
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Chemical Name:
4H-1,2,4-Triazolium, 1-[7-(4-ethyl-5-methyl-2H-1,2,3-triazol-2-yl)-2-oxo-2H-1-benzopyran-3-yl]-4-methyl-, methyl sulfate (1:1)
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Synonyms:
4H-1,2,4-Triazolium,1-[7-(4-ethyl-5-methyl-2H-1,2,3-triazol-2-yl)-2-oxo-2H-1-benzopyran-3-yl]-4-methyl-,methyl sulfate (1:1);1H-1,2,4-Triazolium,1-[7-(4-ethyl-5-methyl-2H-1,2,3-triazol-2-yl)-2-oxo-2H-1-benzopyran-3-yl]-4-methyl-,methyl sulfate;2H-1,2,3-Triazole,1H-1,2,4-triazolium deriv.
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CAS No:
4H-1,2,4-Triazolium, 1-[7-(4-ethyl-5-methyl-2H-1,2,3-triazol-2-yl)-2-oxo-2H-1-benzopyran-3-yl]-4-methyl-, methyl sulfate (1:1) Basic Attributes
450.5 g/mol
450.13215362 g/mol
Computed Properties
Molecular Weight:450.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:3
Exact Mass:450.13215362
Monoisotopic Mass:450.13215362
Topological Polar Surface Area:152
Heavy Atom Count:31
Complexity:684
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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