3-[3-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-yl]phenol;2-hydroxypropane-1,2,3-tricarboxylic acid
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![3-[3-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-yl]phenol;2-hydroxypropane-1,2,3-tricarboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/5a04cb4bc21e48918d6b4608e0ea09ef.png "3-[3-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-yl]phenol;2-hydroxypropane-1,2,3-tricarboxylic acid")
3-[3-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-yl]phenol;2-hydroxypropane-1,2,3-tricarboxylic acid
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CAS No:
64047-76-3
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Formula:
C22H33NO8
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Chemical Name:
3-[3-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-yl]phenol;2-hydroxypropane-1,2,3-tricarboxylic acid
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Synonyms:
64047-76-3;3-(1-Methyl-3-neopentyl-3-pyrrolidinyl)phenol citrate;DTXSID50982246;Phenol, 3-(1-methyl-3-neopentyl-3-pyrrolidinyl)-, citrate;Pyrrolidine, 3-(m-hydroxyphenyl)-1-methyl-3-neopentyl-, citrate;2-Hydroxypropane-1,2,3-tricarboxylic acid--3-[3-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-yl]phenol (1/1)
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CAS No:
3-[3-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-yl]phenol;2-hydroxypropane-1,2,3-tricarboxylic acid Basic Attributes
439.5 g/mol
439.22061701 g/mol
Computed Properties
Molecular Weight:439.5
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:8
Exact Mass:439.22061701
Monoisotopic Mass:439.22061701
Topological Polar Surface Area:156
Heavy Atom Count:31
Complexity:511
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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