(3aS,6R,7aS)-6-Ethyl-2,3,3a,6,7,7a-hexahydro-1-oxo-1H-indene-4-carboxylic acid
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(3aS,6R,7aS)-6-Ethyl-2,3,3a,6,7,7a-hexahydro-1-oxo-1H-indene-4-carboxylic acid
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CAS No:
62251-98-3
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Formula:
C12H16O3
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Chemical Name:
(3aS,6R,7aS)-6-Ethyl-2,3,3a,6,7,7a-hexahydro-1-oxo-1H-indene-4-carboxylic acid
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Synonyms:
1H-Indene-4-carboxylic acid,6-ethyl-2,3,3a,6,7,7a-hexahydro-1-oxo-,(3aS,6R,7aS)-;1H-Indene-4-carboxylic acid,6-ethyl-2,3,3a,6,7,7a-hexahydro-1-oxo-,[3aS-(3aα,6β,7aα)]-;(3aS,6R,7aS)-6-Ethyl-2,3,3a,6,7,7a-hexahydro-1-oxo-1H-indene-4-carboxylic acid;Coronafacic acid;(+)-Coronafacic acid
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CAS No:
(3aS,6R,7aS)-6-Ethyl-2,3,3a,6,7,7a-hexahydro-1-oxo-1H-indene-4-carboxylic acid Basic Attributes
208.25 g/mol
208.109944368 g/mol
Computed Properties
Molecular Weight:208.25
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:208.109944368
Monoisotopic Mass:208.109944368
Topological Polar Surface Area:54.4
Heavy Atom Count:15
Complexity:330
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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