6-[[2-(2,4-dinitrophenoxy)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
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![6-[[2-(2,4-dinitrophenoxy)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/46d1208f0b694a89abc5fdf351a3d81a.png "6-[[2-(2,4-dinitrophenoxy)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid")
6-[[2-(2,4-dinitrophenoxy)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
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CAS No:
36214-20-7
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Formula:
C16H16N4O9S
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Chemical Name:
6-[[2-(2,4-dinitrophenoxy)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
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Synonyms:
36214-20-7;2,4-Dinitrophenoxymethylpenicillin;DTXSID50957611;6-((2-(2,4-Dinitrophenoxy)acetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid;6-{[2-(2,4-Dinitrophenoxy)-1-hydroxyethylidene]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
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CAS No:
6-[[2-(2,4-dinitrophenoxy)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Basic Attributes
440.4 g/mol
440.06379927 g/mol
Computed Properties
Molecular Weight:440.4
XLogP3:1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:5
Exact Mass:440.06379927
Monoisotopic Mass:440.06379927
Topological Polar Surface Area:213
Heavy Atom Count:30
Complexity:780
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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