(1aR,3aR,6aR,6bS)-1a,2-diformyl-3a-hydroxy-5,5-dimethyl-1,4,6,6a-tetrahydrocyclopropa[e]indene-6b-carboxylic acid
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![(1aR,3aR,6aR,6bS)-1a,2-diformyl-3a-hydroxy-5,5-dimethyl-1,4,6,6a-tetrahydrocyclopropa[e]indene-6b-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/06fb7a0d3ae546558aa340af8381778f.png "(1aR,3aR,6aR,6bS)-1a,2-diformyl-3a-hydroxy-5,5-dimethyl-1,4,6,6a-tetrahydrocyclopropa[e]indene-6b-carboxylic acid")
(1aR,3aR,6aR,6bS)-1a,2-diformyl-3a-hydroxy-5,5-dimethyl-1,4,6,6a-tetrahydrocyclopropa[e]indene-6b-carboxylic acid
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CAS No:
134439-71-7
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Formula:
C15H18O5
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Chemical Name:
(1aR,3aR,6aR,6bS)-1a,2-diformyl-3a-hydroxy-5,5-dimethyl-1,4,6,6a-tetrahydrocyclopropa[e]indene-6b-carboxylic acid
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Synonyms:
9beta-Hydroxymarasmic acid;134439-71-7;CCRIS 5099;Cycloprop(e)indene-6b(1H)-carboxylic acid, 1a,2-diformyl-1a,3a,4,5,6,6a-hexahydro-3a,hydroxy-5,5-dimethyl-, (1aR-(1aalpha,3abeta,6abeta,6balpha))-;DTXSID30928622;1a,2-Diformyl-3a-hydroxy-5,5-dimethyl-1a,3a,4,5,6,6a-hexahydrocyclopropa[e]indene-6b(1H)-carboxylic acid
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CAS No:
(1aR,3aR,6aR,6bS)-1a,2-diformyl-3a-hydroxy-5,5-dimethyl-1,4,6,6a-tetrahydrocyclopropa[e]indene-6b-carboxylic acid Basic Attributes
278.30 g/mol
278.11542367 g/mol
Computed Properties
Molecular Weight:278.30
XLogP3:-0.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:278.11542367
Monoisotopic Mass:278.11542367
Topological Polar Surface Area:91.7
Heavy Atom Count:20
Complexity:563
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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