1-[(2'-chlorospiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-yl)methyl]azepane;2-hydroxypropane-1,2,3-tricarboxylic acid
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![1-[(2'-chlorospiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-yl)methyl]azepane;2-hydroxypropane-1,2,3-tricarboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/6fbc374994464bf9842ce3e14b2c591e.png "1-[(2'-chlorospiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-yl)methyl]azepane;2-hydroxypropane-1,2,3-tricarboxylic acid")
1-[(2'-chlorospiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-yl)methyl]azepane;2-hydroxypropane-1,2,3-tricarboxylic acid
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CAS No:
64036-50-6
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Formula:
C29H34ClNO10
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Chemical Name:
1-[(2'-chlorospiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-yl)methyl]azepane;2-hydroxypropane-1,2,3-tricarboxylic acid
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Synonyms:
64036-50-6;DTXSID70981978;2-Hydroxypropane-1,2,3-tricarboxylic acid--1-[(2-chloro-6H-spiro[dibenzo[b,e]oxepine-11,2'-[1,3]dioxolan]-4'-yl)methyl]azepane (1/1);Spiro(dibenz(b,e)oxepin-11,2'-(1',3')dioxolane), 6,11-dihydro-2-chloro-4'-(hexahydro-1H-azepinyl)methyl-, citrate
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CAS No:
1-[(2'-chlorospiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-yl)methyl]azepane;2-hydroxypropane-1,2,3-tricarboxylic acid Basic Attributes
592.0 g/mol
591.1871240 g/mol
Computed Properties
Molecular Weight:592.0
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:7
Exact Mass:591.1871240
Monoisotopic Mass:591.1871240
Topological Polar Surface Area:163
Heavy Atom Count:41
Complexity:753
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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