3-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]propanoic acid
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![3-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/fbd3b3e88835403ba879bfc2a7496f8b.png "3-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]propanoic acid")
3-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]propanoic acid
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CAS No:
896081-79-1
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Formula:
C13H14N4O4
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Chemical Name:
3-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]propanoic acid
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Synonyms:
ZINC2441880;STK593410;AKOS005515234;MCULE-1641215479;N-[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]-beta-alanine;896081-79-1
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CAS No:
3-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]propanoic acid Basic Attributes
290.27 g/mol
290.10150494 g/mol
Computed Properties
Molecular Weight:290.27
XLogP3:-0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:290.10150494
Monoisotopic Mass:290.10150494
Topological Polar Surface Area:111
Heavy Atom Count:21
Complexity:452
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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