2-[(1R,4aS,8S,8aS)-8-hydroxy-8a-(methoxymethyl)-2,5-dimethyl-7-oxo-1,4,4a,8-tetrahydronaphthalen-1-yl]acetic acid
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![2-[(1R,4aS,8S,8aS)-8-hydroxy-8a-(methoxymethyl)-2,5-dimethyl-7-oxo-1,4,4a,8-tetrahydronaphthalen-1-yl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/7485c57299b7430cb386ff2c307626a6.png "2-[(1R,4aS,8S,8aS)-8-hydroxy-8a-(methoxymethyl)-2,5-dimethyl-7-oxo-1,4,4a,8-tetrahydronaphthalen-1-yl]acetic acid")
2-[(1R,4aS,8S,8aS)-8-hydroxy-8a-(methoxymethyl)-2,5-dimethyl-7-oxo-1,4,4a,8-tetrahydronaphthalen-1-yl]acetic acid
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CAS No:
104199-27-1
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Formula:
C16H22O5
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Chemical Name:
2-[(1R,4aS,8S,8aS)-8-hydroxy-8a-(methoxymethyl)-2,5-dimethyl-7-oxo-1,4,4a,8-tetrahydronaphthalen-1-yl]acetic acid
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Synonyms:
104199-27-1;DTXSID10908861;1-Naphthaleneacetic acid, 1,4,4a,7,8,8a-hexahydro-8-hydroxy-8a-(methoxymethyl)-2,5-dimethyl-7-oxo-, (1alpha,4aalpha,8beta,8abeta)-;[8-Hydroxy-8a-(methoxymethyl)-2,5-dimethyl-7-oxo-1,4,4a,7,8,8a-hexahydronaphthalen-1-yl]acetic acid
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CAS No:
2-[(1R,4aS,8S,8aS)-8-hydroxy-8a-(methoxymethyl)-2,5-dimethyl-7-oxo-1,4,4a,8-tetrahydronaphthalen-1-yl]acetic acid Basic Attributes
294.34 g/mol
294.14672380 g/mol
Computed Properties
Molecular Weight:294.34
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:294.14672380
Monoisotopic Mass:294.14672380
Topological Polar Surface Area:83.8
Heavy Atom Count:21
Complexity:519
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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