[(1S,5S)-5-hydroxy-5-(hydroxymethyl)-4-oxocyclopent-2-en-1-yl] acetate
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![[(1S,5S)-5-hydroxy-5-(hydroxymethyl)-4-oxocyclopent-2-en-1-yl] acetate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/aa68edc39c3a4b679e1bc86a8875014c.png "[(1S,5S)-5-hydroxy-5-(hydroxymethyl)-4-oxocyclopent-2-en-1-yl] acetate")
[(1S,5S)-5-hydroxy-5-(hydroxymethyl)-4-oxocyclopent-2-en-1-yl] acetate
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CAS No:
50655-21-5
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Formula:
C8H10O5
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Chemical Name:
[(1S,5S)-5-hydroxy-5-(hydroxymethyl)-4-oxocyclopent-2-en-1-yl] acetate
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Synonyms:
4-acetoxy-5-hydroxy-5-hydroxymethyl-(4:S,5:S)cyclopent-2-en-1-one;pentenomycin II;Pentenomycin II;50655-21-5;Antibiotic C 2554A-II;XB-94-F(sub 2);Antibiotic XB 94F(sub 2);DTXSID20198695;2-Cyclopenten-1-one, 4-(acetyloxy)-5-hydroxy-5-(hydroxymethyl)-, (4S-cis)-;4-acetoxy-5-hydroxy-5-hydroxymethyl-(4:S,5:S)cyclopent-2-en-1-one
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CAS No:
[(1S,5S)-5-hydroxy-5-(hydroxymethyl)-4-oxocyclopent-2-en-1-yl] acetate Basic Attributes
186.16 g/mol
186.05282342 g/mol
DTXSID20198695
Computed Properties
Molecular Weight:186.16
XLogP3:-0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:186.05282342
Monoisotopic Mass:186.05282342
Topological Polar Surface Area:83.8
Heavy Atom Count:13
Complexity:270
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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