2-[(1R,4aR,8S,8aR)-8-hydroxy-7-methoxy-2,8a-dimethyl-5-oxo-1,4,4a,8-tetrahydronaphthalen-1-yl]acetic acid
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![2-[(1R,4aR,8S,8aR)-8-hydroxy-7-methoxy-2,8a-dimethyl-5-oxo-1,4,4a,8-tetrahydronaphthalen-1-yl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/d17b419f7f6e407fa8d0883678d7fbe2.png "2-[(1R,4aR,8S,8aR)-8-hydroxy-7-methoxy-2,8a-dimethyl-5-oxo-1,4,4a,8-tetrahydronaphthalen-1-yl]acetic acid")
2-[(1R,4aR,8S,8aR)-8-hydroxy-7-methoxy-2,8a-dimethyl-5-oxo-1,4,4a,8-tetrahydronaphthalen-1-yl]acetic acid
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CAS No:
104199-18-0
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Formula:
C15H20O5
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Chemical Name:
2-[(1R,4aR,8S,8aR)-8-hydroxy-7-methoxy-2,8a-dimethyl-5-oxo-1,4,4a,8-tetrahydronaphthalen-1-yl]acetic acid
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Synonyms:
104199-18-0;DTXSID20908852;1-Naphthaleneacetic acid, 1,4,4a,5,8,8a-hexahydro-8-hydroxy-7-methoxy-2,8a-dimethyl-5-oxo-, (1alpha,4aalpha,8beta,8abeta)-;(8-Hydroxy-7-methoxy-2,8a-dimethyl-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-2,8a-dimethyl-5-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
XLogP3:0.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:280.13107373
Monoisotopic Mass:280.13107373
Topological Polar Surface Area:83.8
Heavy Atom Count:20
Complexity:504
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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