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(1S,5R,6S)-5-hydroxy-3-(3-methylbut-3-en-1-ynyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one
(1S,5R,6S)-5-hydroxy-3-(3-methylbut-3-en-1-ynyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one
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![(1S,5R,6S)-5-hydroxy-3-(3-methylbut-3-en-1-ynyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/4438557c6f204aac8258a06dcf7fa8d5.png "(1S,5R,6S)-5-hydroxy-3-(3-methylbut-3-en-1-ynyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one")
(1S,5R,6S)-5-hydroxy-3-(3-methylbut-3-en-1-ynyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one
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CAS No:
125555-67-1
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Formula:
C11H10O3
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Chemical Name:
(1S,5R,6S)-5-hydroxy-3-(3-methylbut-3-en-1-ynyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one
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Synonyms:
125555-67-1;(1S,2R,6S)-2-Hydroxy-4-(3-methylbut-3-en-1-ynyl)-7-oxabicyclo(4.1.0)hept-3-en-5-one;(?)-PT-toxin;DTXSID70154786
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CAS No:
(1S,5R,6S)-5-hydroxy-3-(3-methylbut-3-en-1-ynyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one Basic Attributes
190.19 g/mol
190.062994177 g/mol
DTXSID70154786
Computed Properties
Molecular Weight:190.19
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:190.062994177
Monoisotopic Mass:190.062994177
Topological Polar Surface Area:49.8
Heavy Atom Count:14
Complexity:405
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of (1S,5R,6S)-5-hydroxy-3-(3-methylbut-3-en-1-ynyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one
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