2-[(5R,8S,8aR)-8-methyl-2-oxo-4,5,6,7,8,8a-hexahydro-1H-azulen-5-yl]prop-2-enoic acid
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![2-[(5R,8S,8aR)-8-methyl-2-oxo-4,5,6,7,8,8a-hexahydro-1H-azulen-5-yl]prop-2-enoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/63f67f1a342545509607fe34350033b5.png "2-[(5R,8S,8aR)-8-methyl-2-oxo-4,5,6,7,8,8a-hexahydro-1H-azulen-5-yl]prop-2-enoic acid")
2-[(5R,8S,8aR)-8-methyl-2-oxo-4,5,6,7,8,8a-hexahydro-1H-azulen-5-yl]prop-2-enoic acid
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CAS No:
139953-21-2
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Formula:
C14H18O3
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Chemical Name:
2-[(5R,8S,8aR)-8-methyl-2-oxo-4,5,6,7,8,8a-hexahydro-1H-azulen-5-yl]prop-2-enoic acid
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Synonyms:
isorupestonic acid;Isorupestonic acid;139953-21-2;2-[(5R,8S,8aR)-8-methyl-2-oxo-4,5,6,7,8,8a-hexahydro-1H-azulen-5-yl]prop-2-enoic Acid;DTXSID80161204;5-Azuleneacetic acid, 1,2,4,5,6,7,8,8a-octahydro-8-methyl-alpha-methylene-2-oxo-, (5R-(5alpha,8alpha,8aalpha))-
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CAS No:
2-[(5R,8S,8aR)-8-methyl-2-oxo-4,5,6,7,8,8a-hexahydro-1H-azulen-5-yl]prop-2-enoic acid Basic Attributes
234.29 g/mol
234.125594432 g/mol
DTXSID80161204
Computed Properties
Molecular Weight:234.29
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:234.125594432
Monoisotopic Mass:234.125594432
Topological Polar Surface Area:54.4
Heavy Atom Count:17
Complexity:406
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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