(2S,5S,8S,9R)-2,5,9-trimethyl-11-oxotricyclo[6.3.0.01,5]undec-3-ene-3-carboxylic acid
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(2S,5S,8S,9R)-2,5,9-trimethyl-11-oxotricyclo[6.3.0.01,5]undec-3-ene-3-carboxylic acid
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CAS No:
110043-85-1
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Formula:
C15H20O3
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Chemical Name:
(2S,5S,8S,9R)-2,5,9-trimethyl-11-oxotricyclo[6.3.0.01,5]undec-3-ene-3-carboxylic acid
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Synonyms:
sodium suberogorgin;suberogorgin;Suberogorgin;Sodium suberogorgin;110043-85-1;DTXSID50911455;Cyclopenta(c)pentalene-2-carboxylic acid, 1,3a,4,5,5a,6,7,8-octahydro-1,3a,6-trimethyl-8-oxo-, (1S-(1alpha,3abeta,5aalpha,6alpha,8aR*))-;(3R,3aS,5aS,8S)-3,5a,8-trimethyl-1-oxo-2,3,3a,4,5,8-hexahydrocyclopenta[h]pentalene-7-carboxylic acid;1,3a,6-Trimethyl-8-oxo-1,3a,4,5,5a,6,7,8-octahydrocyclopenta[c]pentalene-2-carboxylic acid
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CAS No:
(2S,5S,8S,9R)-2,5,9-trimethyl-11-oxotricyclo[6.3.0.01,5]undec-3-ene-3-carboxylic acid Basic Attributes
248.32 g/mol
248.14124450 g/mol
Computed Properties
Molecular Weight:248.32
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:248.14124450
Monoisotopic Mass:248.14124450
Topological Polar Surface Area:54.4
Heavy Atom Count:18
Complexity:478
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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