3-nitro-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)benzoic acid
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![3-nitro-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/bd44495245784ea3af4885ace20da045.png "3-nitro-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)benzoic acid")
3-nitro-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)benzoic acid
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CAS No:
447413-51-6
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Formula:
C17H22N2O4
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Chemical Name:
3-nitro-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)benzoic acid
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Synonyms:
3-nitro-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)benzoic acid;447413-51-6;Oprea1_658565;MFCD02934456;SBB013967;STK663448;AKOS001754488;MCULE-5699817300;ST032465;EU-0086216;SR-01000251830;SR-01000251830-1;3-Nitro-4-(1,3,3-trimethyl-6-aza-bicyclo[3.2.1]oct-6-yl)-benzoic acid
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CAS No:
3-nitro-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)benzoic acid Basic Attributes
318.4 g/mol
318.15795719 g/mol
Computed Properties
Molecular Weight:318.4
XLogP3:3.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:318.15795719
Monoisotopic Mass:318.15795719
Topological Polar Surface Area:86.4
Heavy Atom Count:23
Complexity:515
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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