2-[(1R,4aS,8S,8aR)-8-hydroxy-5,8a-dimethyl-7-oxo-1,4,4a,8-tetrahydronaphthalen-1-yl]acetic acid
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![2-[(1R,4aS,8S,8aR)-8-hydroxy-5,8a-dimethyl-7-oxo-1,4,4a,8-tetrahydronaphthalen-1-yl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/9c278e66345847e688eb71bf0d88f33b.png "2-[(1R,4aS,8S,8aR)-8-hydroxy-5,8a-dimethyl-7-oxo-1,4,4a,8-tetrahydronaphthalen-1-yl]acetic acid")
2-[(1R,4aS,8S,8aR)-8-hydroxy-5,8a-dimethyl-7-oxo-1,4,4a,8-tetrahydronaphthalen-1-yl]acetic acid
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CAS No:
104199-25-9
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Formula:
C14H18O4
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Chemical Name:
2-[(1R,4aS,8S,8aR)-8-hydroxy-5,8a-dimethyl-7-oxo-1,4,4a,8-tetrahydronaphthalen-1-yl]acetic acid
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Synonyms:
104199-25-9;DTXSID40908859;1-Naphthaleneacetic acid, 1,4,4a,7,8,8a-hexahydro-8-hydroxy-5,8a-dimethyl-7-oxo-, (1alpha,4aalpha,8beta,8abeta)-;(8-Hydroxy-5,8a-dimethyl-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-5,8a-dimethyl-7-oxo-1,4,4a,8-tetrahydronaphthalen-1-yl]acetic acid Basic Attributes
250.29 g/mol
250.12050905 g/mol
Computed Properties
Molecular Weight:250.29
XLogP3:0.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:250.12050905
Monoisotopic Mass:250.12050905
Topological Polar Surface Area:74.6
Heavy Atom Count:18
Complexity:449
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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