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(5Z)-5-[(3aS,4S,5R,6aS)-4-(2-cyclohexylethynyl)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid

Base Information
  • Chemical Name:(5Z)-5-[(3aS,4S,5R,6aS)-4-(2-cyclohexylethynyl)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid
  • CAS No.:149639-79-2
  • Molecular Formula:C21H30 O3
  • Molecular Weight:330.46
  • Hs Code.:
(5Z)-5-[(3aS,4S,5R,6aS)-4-(2-cyclohexylethynyl)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid

Synonyms:15,16,17,18,19,20-hexanol-13,14-dehydro-14-(1-cyclohexyl)-9a-methanoprostaglandin I2;MM 706;MM-706

Suppliers and Price of (5Z)-5-[(3aS,4S,5R,6aS)-4-(2-cyclohexylethynyl)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid
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Chemical Property of (5Z)-5-[(3aS,4S,5R,6aS)-4-(2-cyclohexylethynyl)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid
Chemical Property:
  • Vapor Pressure:4.01E-13mmHg at 25°C 
  • Boiling Point:523°Cat760mmHg 
  • Flash Point:284.2°C 
  • PSA:57.53000 
  • Density:1.14g/cm3 
  • LogP:4.15840 
  • XLogP3:4.1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Rotatable Bond Count:4
  • Exact Mass:330.21949481
  • Heavy Atom Count:24
  • Complexity:544
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MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:C1CCC(CC1)C#CC2C(CC3C2CC(=CCCCC(=O)O)C3)O
  • Isomeric SMILES:C1CCC(CC1)C#C[C@H]2[C@@H](C[C@H]3[C@@H]2C/C(=C\CCCC(=O)O)/C3)O
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