Acetic acid, oxo(1H-1,2,3-triazol-1-ylamino)-, methyl ester (9CI)
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Acetic acid, oxo(1H-1,2,3-triazol-1-ylamino)-, methyl ester (9CI)
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CAS No:
199386-95-3
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Formula:
C5H6N4O3
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Chemical Name:
Acetic acid, oxo(1H-1,2,3-triazol-1-ylamino)-, methyl ester (9CI)
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Synonyms:
1-(Methoxalylamino)-1H-1,2,3-triazole;ZINC39058842;methyl 2-oxo-2-(triazol-1-ylamino)acetate;Methyl oxo(1H-1,2,3-triazol-1-ylamino)acetate;Methyl 2-((1H-1,2,3-triazol-1-yl)amino)-2-oxoacetate
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CAS No:
Acetic acid, oxo(1H-1,2,3-triazol-1-ylamino)-, methyl ester (9CI) Basic Attributes
170.12614
170.044
Computed Properties
Molecular Weight:170.13
XLogP3:-0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:170.04399007
Monoisotopic Mass:170.04399007
Topological Polar Surface Area:86.1
Heavy Atom Count:12
Complexity:195
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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