2-(8-nitro-6-oxo-5H-benzo[b][1,4]benzoxazepin-3-yl)propanoic acid
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![2-(8-nitro-6-oxo-5H-benzo[b][1,4]benzoxazepin-3-yl)propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/8071aa06d58347b2b821f93e1ef39ef2.png "2-(8-nitro-6-oxo-5H-benzo[b][1,4]benzoxazepin-3-yl)propanoic acid")
2-(8-nitro-6-oxo-5H-benzo[b][1,4]benzoxazepin-3-yl)propanoic acid
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CAS No:
109790-30-9
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Formula:
C16H12N2O6
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Chemical Name:
2-(8-nitro-6-oxo-5H-benzo[b][1,4]benzoxazepin-3-yl)propanoic acid
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Synonyms:
Propanoic acid,2-(10,11-dihydro-2-nitro-11-oxodibenz(b,f)(1,4)oxazepin-7-yl);
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CAS No:
2-(8-nitro-6-oxo-5H-benzo[b][1,4]benzoxazepin-3-yl)propanoic acid Basic Attributes
328.27600
328.06953611
Computed Properties
Molecular Weight:328.28
XLogP3:2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:328.06953611
Monoisotopic Mass:328.06953611
Topological Polar Surface Area:121
Heavy Atom Count:24
Complexity:533
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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