2-hydroxypropane-1,2,3-tricarboxylic acid;3-[1-methyl-3-(2-methylpropyl)pyrrolidin-3-yl]phenol
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![2-hydroxypropane-1,2,3-tricarboxylic acid;3-[1-methyl-3-(2-methylpropyl)pyrrolidin-3-yl]phenol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/24ad26327e5d413e98519d091dc28382.png "2-hydroxypropane-1,2,3-tricarboxylic acid;3-[1-methyl-3-(2-methylpropyl)pyrrolidin-3-yl]phenol")
2-hydroxypropane-1,2,3-tricarboxylic acid;3-[1-methyl-3-(2-methylpropyl)pyrrolidin-3-yl]phenol
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CAS No:
64047-75-2
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Formula:
C21H31NO8
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Chemical Name:
2-hydroxypropane-1,2,3-tricarboxylic acid;3-[1-methyl-3-(2-methylpropyl)pyrrolidin-3-yl]phenol
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Synonyms:
64047-75-2;3-(1-Methyl-3-isobutyl-3-pyrrolidinyl)phenol citrate;DTXSID90982245;Phenol, 3-(1-methyl-3-isobutyl-3-pyrrolidinyl)-, citrate;Pyrrolidine, 3-(m-hydroxyphenyl)-3-isobutyl-1-methyl-, citrate;A835266;3-(3-Isobutyl-1-methylpyrrolidin-3-yl)phenol 2-hydroxypropane-1,2,3-tricarboxylate;2-Hydroxypropane-1,2,3-tricarboxylic acid--3-[1-methyl-3-(2-methylpropyl)pyrrolidin-3-yl]phenol (1/1);2-hydroxypropane-1,2,3-tricarboxylic acid; 3-[1-methyl-3-(2-methylpropyl)-3-pyrrolidinyl]phenol;3-[1-methyl-3-(2-methylpropyl)pyrrolidin-3-yl]phenol; 2-oxidanylpropane-1,2,3-tricarboxylic acid
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CAS No:
2-hydroxypropane-1,2,3-tricarboxylic acid;3-[1-methyl-3-(2-methylpropyl)pyrrolidin-3-yl]phenol Basic Attributes
425.5 g/mol
425.20496695 g/mol
Computed Properties
Molecular Weight:425.5
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:8
Exact Mass:425.20496695
Monoisotopic Mass:425.20496695
Topological Polar Surface Area:156
Heavy Atom Count:30
Complexity:481
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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