(Z)-but-2-enedioic acid,3-[4-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperazin-1-yl]propane-1,2-diol
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![(Z)-but-2-enedioic acid,3-[4-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperazin-1-yl]propane-1,2-diol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/726ac170cb284fda8b99b3d036e32ba3.png "(Z)-but-2-enedioic acid,3-[4-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperazin-1-yl]propane-1,2-diol")
(Z)-but-2-enedioic acid,3-[4-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperazin-1-yl]propane-1,2-diol
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CAS No:
39890-22-7
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Formula:
C32H38N2O13
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Chemical Name:
(Z)-but-2-enedioic acid,3-[4-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperazin-1-yl]propane-1,2-diol
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Synonyms:
3-[4-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperazin-1-yl]propane-1,2-diol; Spiro(dibenz(b,e)oxepin-11,2'-(1',3')dioxolane),6,11-dihydro-4'-(4-(2,3-dihydroxypropyl)piperazinyl)methyl-,dimaleate;
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CAS No:
(Z)-but-2-enedioic acid,3-[4-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperazin-1-yl]propane-1,2-diol Basic Attributes
658.65000
658.23738927
Computed Properties
Molecular Weight:658.6
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:9
Exact Mass:658.23738927
Monoisotopic Mass:658.23738927
Topological Polar Surface Area:224
Heavy Atom Count:47
Complexity:705
Undefined Atom Stereocenter Count:3
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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