3,3a,7a,9b-Tetrahydro-3-(1-hydroxyethyl)-2-oxo-2H,4aH-1,4,5-trioxadicyclopent[a,hi]indene-7-carboxylic acid methyl ester
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3,3a,7a,9b-Tetrahydro-3-(1-hydroxyethyl)-2-oxo-2H,4aH-1,4,5-trioxadicyclopent[a,hi]indene-7-carboxylic acid methyl ester
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CAS No:
51838-83-6
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Formula:
C15H18O8
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Chemical Name:
3,3a,7a,9b-Tetrahydro-3-(1-hydroxyethyl)-2-oxo-2H,4aH-1,4,5-trioxadicyclopent[a,hi]indene-7-carboxylic acid methyl ester
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Synonyms:
3,3a,7a,9b-Tetrahydro-3-(1-hydroxyethyl)-2-oxo-2H,4aH-1,4,5-trioxadicyclopent[a,hi]indene-7-carboxylic acid methyl ester;Allamandicin;NSC 251691
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CAS No:
3,3a,7a,9b-Tetrahydro-3-(1-hydroxyethyl)-2-oxo-2H,4aH-1,4,5-trioxadicyclopent[a,hi]indene-7-carboxylic acid methyl ester Basic Attributes
326.299
308.089600
251691
Computed Properties
Molecular Weight:308.28
XLogP3:0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:308.08960285
Monoisotopic Mass:308.08960285
Topological Polar Surface Area:91.3
Heavy Atom Count:22
Complexity:609
Undefined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3,3a,7a,9b-Tetrahydro-3-(1-hydroxyethyl)-2-oxo-2H,4aH-1,4,5-trioxadicyclopent[a,hi]indene-7-carboxylic acid methyl ester
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