2-[(1R,4aS,8S,8aR)-8-hydroxy-8a-(methoxymethyl)-5-methyl-7-oxo-1,4,4a,8-tetrahydronaphthalen-1-yl]acetic acid
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![2-[(1R,4aS,8S,8aR)-8-hydroxy-8a-(methoxymethyl)-5-methyl-7-oxo-1,4,4a,8-tetrahydronaphthalen-1-yl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/4d626173f8774fa98c74b47817f9dde0.png "2-[(1R,4aS,8S,8aR)-8-hydroxy-8a-(methoxymethyl)-5-methyl-7-oxo-1,4,4a,8-tetrahydronaphthalen-1-yl]acetic acid")
2-[(1R,4aS,8S,8aR)-8-hydroxy-8a-(methoxymethyl)-5-methyl-7-oxo-1,4,4a,8-tetrahydronaphthalen-1-yl]acetic acid
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CAS No:
104199-26-0
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Formula:
C15H20O5
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Chemical Name:
2-[(1R,4aS,8S,8aR)-8-hydroxy-8a-(methoxymethyl)-5-methyl-7-oxo-1,4,4a,8-tetrahydronaphthalen-1-yl]acetic acid
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Synonyms:
104199-26-0;DTXSID50908860;1-Naphthaleneacetic acid, 1,4,4a,7,8,8a-hexahydro-8-hydroxy-8a-(methoxymethyl)-5-methyl-7-oxo-, (1alpha,4aalpha,8beta,8abeta)-;[8-Hydroxy-8a-(methoxymethyl)-5-methyl-7-oxo-1,4,4a,7,8,8a-hexahydronaphthalen-1-yl]acetic acid
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CAS No:
2-[(1R,4aS,8S,8aR)-8-hydroxy-8a-(methoxymethyl)-5-methyl-7-oxo-1,4,4a,8-tetrahydronaphthalen-1-yl]acetic acid Basic Attributes
280.32 g/mol
280.13107373 g/mol
Computed Properties
Molecular Weight:280.32
XLogP3:0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:280.13107373
Monoisotopic Mass:280.13107373
Topological Polar Surface Area:83.8
Heavy Atom Count:20
Complexity:479
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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