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Isoboonein Acetate

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Isoboonein Acetate / CAS : 99891-77-7

Appearance - UN 0.0
HS 0.0 DG Class 0.0
Synonyms Reaxys ID: 6504764;Isoboonein Acetate;(4aR,6S,7R,7aS)-6-(Acetyloxy)Hexahydro-7-Methylcyclopenta[c]Pyran-3(1H)-one;Cyclopenta[c]Pyran-3(1H)-one, 6-(Acetyloxy)Hexahydro-7-Methyl-, (4aR,6S,7R,7aS)-
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Properties

Summary

Formula
C11H16O4
Molecular Mass
212.24200
Exact Mass
212.10500
PSA
52.60000
Logp
1.13720
IUPAC
[(4aR,6S,7R,7aS)-7-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran-6-yl] acetate
SMILES
C[C@H]1[C@H](C[C@H]2[C@@H]1COC(=O)C2)OC(=O)C

Attribute classification

Matter Classification
organic
Category
Other Chemicals

Chemical and Physical Properties

Density
1.16±0.1 g/cm3(Predicted)
Boiling Point
336.4±35.0 °C(Predicted)

Export information

HS Code
0.0
UN No.
0.0
DG-Class
0.0

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