Phomalactone acetate

Base Information

• Chemical Name: Phomalactone acetate
• CAS No.: 23791-20-0
• Molecular Formula: C₁₀H₁₂O₄
• Molecular Weight: 196.203
• UNII: CTV64AEU5X
• Nikkaji Number: J678.285J
• Wikidata: Q77381272
• Metabolomics Workbench ID: 112390

Synonyms:Phomalactone acetate;(+)-Acetylphomalactone;CTV64AEU5X;Acetylphomalactone, (+)-;UNII-CTV64AEU5X;23791-20-0;(5S,6S)-5-(Acetyloxy)-5,6-dihydro-6-(1E)-1-propen-1-yl-2H-pyran-2-one;2H-Pyran-2-one, 5-(acetyloxy)-5,6-dihydro-6-(1E)-1-propen-1-yl-, (5S,6S)-;5-(Acetyloxy)-5,6-dihydro-6-(1-propenyl)-2H-pyran-2-one, (5S-(5alpha,6alpha(E));Acetylphomalactone;5,6-dihydro-5(S)-acetoxy-6(S)-(1,2-trans propenyl)-2H-pyran-2-one

Chemical Property of Phomalactone acetate

Chemical Property:

• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 196.07355886
• Heavy Atom Count: 14
• Complexity: 291

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=CC1C(C=CC(=O)O1)OC(=O)C
• Isomeric SMILES: C/C=C/[C@H]1[C@H](C=CC(=O)O1)OC(=O)C

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