2-[(2R,4aR,8aS)-2-hydroxy-3,4,4a,5,6,7,8,8a-octahydrochromen-2-yl]ethyl 2,4-dichlorobenzoate
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![2-[(2R,4aR,8aS)-2-hydroxy-3,4,4a,5,6,7,8,8a-octahydrochromen-2-yl]ethyl 2,4-dichlorobenzoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/cff2a21204ad413192ba20bd19c5535d.png "2-[(2R,4aR,8aS)-2-hydroxy-3,4,4a,5,6,7,8,8a-octahydrochromen-2-yl]ethyl 2,4-dichlorobenzoate")
2-[(2R,4aR,8aS)-2-hydroxy-3,4,4a,5,6,7,8,8a-octahydrochromen-2-yl]ethyl 2,4-dichlorobenzoate
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CAS No:
101859-00-1
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Formula:
C18H22Cl2O4
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Chemical Name:
2-[(2R,4aR,8aS)-2-hydroxy-3,4,4a,5,6,7,8,8a-octahydrochromen-2-yl]ethyl 2,4-dichlorobenzoate
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Synonyms:
101859-00-1;Benzoic acid, 2,4-dichloro-, 2-(octahydro-2-hydroxy-2H-1-benzopyran-2-yl)ethyl ester, (2alpha,4abeta,8aalpha)-;DTXSID90144285
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CAS No:
2-[(2R,4aR,8aS)-2-hydroxy-3,4,4a,5,6,7,8,8a-octahydrochromen-2-yl]ethyl 2,4-dichlorobenzoate Basic Attributes
373.3 g/mol
372.0895146 g/mol
DTXSID90144285
Computed Properties
Molecular Weight:373.3
XLogP3:4.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:372.0895146
Monoisotopic Mass:372.0895146
Topological Polar Surface Area:55.8
Heavy Atom Count:24
Complexity:447
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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