2-[(1R,4aR,8S,8aR)-8-hydroxy-7-methoxy-8a-(methoxymethyl)-5-oxo-1,4,4a,8-tetrahydronaphthalen-1-yl]acetic acid
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![2-[(1R,4aR,8S,8aR)-8-hydroxy-7-methoxy-8a-(methoxymethyl)-5-oxo-1,4,4a,8-tetrahydronaphthalen-1-yl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/7f42441f5bce4d2ea09ed014cef425e5.png "2-[(1R,4aR,8S,8aR)-8-hydroxy-7-methoxy-8a-(methoxymethyl)-5-oxo-1,4,4a,8-tetrahydronaphthalen-1-yl]acetic acid")
2-[(1R,4aR,8S,8aR)-8-hydroxy-7-methoxy-8a-(methoxymethyl)-5-oxo-1,4,4a,8-tetrahydronaphthalen-1-yl]acetic acid
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CAS No:
104199-19-1
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Formula:
C15H20O6
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Chemical Name:
2-[(1R,4aR,8S,8aR)-8-hydroxy-7-methoxy-8a-(methoxymethyl)-5-oxo-1,4,4a,8-tetrahydronaphthalen-1-yl]acetic acid
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Synonyms:
104199-19-1;DTXSID80908853;1-Naphthaleneacetic acid, 1,4,4a,5,8,8a-hexahydro-8-hydroxy-7-methoxy-8a-(methoxymethyl)-5-oxo-, (1alpha,4aalpha,8beta,8abeta)-;[8-Hydroxy-7-methoxy-8a-(methoxymethyl)-5-oxo-1,4,4a,5,8,8a-hexahydronaphthalen-1-yl]acetic acid
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CAS No:
2-[(1R,4aR,8S,8aR)-8-hydroxy-7-methoxy-8a-(methoxymethyl)-5-oxo-1,4,4a,8-tetrahydronaphthalen-1-yl]acetic acid Basic Attributes
296.31 g/mol
296.12598835 g/mol
Computed Properties
Molecular Weight:296.31
XLogP3:-0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:296.12598835
Monoisotopic Mass:296.12598835
Topological Polar Surface Area:93.1
Heavy Atom Count:21
Complexity:494
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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