CID 6439093

Base Information

• Chemical Name: CID 6439093
• CAS No.: 121571-14-0
• Molecular Formula: C23H28 O5
• Molecular Weight: 384.4654
• Nikkaji Number: J261.854K
• Mol file: 121571-14-0.mol

Synonyms:methyl-9-oxo 15-hydroxy-16-phenoxy-17,18,19,20-tetranorprosta-4,5,13-trienoate;RS 61756-007;RS-61756-007

Chemical Property of CID 6439093

Chemical Property:

• Vapor Pressure: 3.17E-12mmHg at 25°C
• Boiling Point: 533.8°C at 760 mmHg
• Flash Point: 179.2°C
• PSA: 72.83000
• Density: 1.143g/cm³
• LogP: 3.63240
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 11
• Exact Mass: 384.19367399
• Heavy Atom Count: 28
• Complexity: 582

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CCC=C=CCC1C(CCC1=O)C=CC(COC2=CC=CC=C2)O
• Isomeric SMILES: COC(=O)CCC=C=CC[C@@H]1[C@H](CCC1=O)/C=C/[C@H](COC2=CC=CC=C2)O

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