(4E)-4-[(1R,4S,5R,6S)-5-[(3S)-3-cyclohexyl-3-hydroxyprop-1-ynyl]-4-hydroxy-8-bicyclo[4.2.0]octanylidene]butanoic acid
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![(4E)-4-[(1R,4S,5R,6S)-5-[(3S)-3-cyclohexyl-3-hydroxyprop-1-ynyl]-4-hydroxy-8-bicyclo[4.2.0]octanylidene]butanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/cbdef91fe0d241e8b2c6b07a2094f23d.png "(4E)-4-[(1R,4S,5R,6S)-5-[(3S)-3-cyclohexyl-3-hydroxyprop-1-ynyl]-4-hydroxy-8-bicyclo[4.2.0]octanylidene]butanoic acid")
(4E)-4-[(1R,4S,5R,6S)-5-[(3S)-3-cyclohexyl-3-hydroxyprop-1-ynyl]-4-hydroxy-8-bicyclo[4.2.0]octanylidene]butanoic acid
structure -
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CAS No:
105284-21-7
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Formula:
C21H30O4
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Chemical Name:
(4E)-4-[(1R,4S,5R,6S)-5-[(3S)-3-cyclohexyl-3-hydroxyprop-1-ynyl]-4-hydroxy-8-bicyclo[4.2.0]octanylidene]butanoic acid
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Synonyms:
2-Butanesulfinyl chloride;
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CAS No:
(4E)-4-[(1R,4S,5R,6S)-5-[(3S)-3-cyclohexyl-3-hydroxyprop-1-ynyl]-4-hydroxy-8-bicyclo[4.2.0]octanylidene]butanoic acid Basic Attributes
346.46100
346.21440943
Computed Properties
Molecular Weight:346.5
XLogP3:2.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:346.21440943
Monoisotopic Mass:346.21440943
Topological Polar Surface Area:77.8
Heavy Atom Count:25
Complexity:575
Defined Atom Stereocenter Count:5
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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