Aerocavin

Base Information

• Chemical Name: Aerocavin
• CAS No.: 113702-00-4
• Molecular Formula: C27H44 O6
• Molecular Weight: 464.63
• Nikkaji Number: J259.882E
• Wikidata: Q76386933
• Mol file: 113702-00-4.mol

Synonyms:12-hydroxy-14-(2-hydroxyundecyl)-10-methyl-2-oxooxacyclotetradeca-3,6,9-triene-4-acetic acid;aerocavin

Chemical Property of Aerocavin

Chemical Property:

• Vapor Pressure: 3.43E-20mmHg at 25°C
• Boiling Point: 659.4°Cat760mmHg
• PKA: 3.63±0.10(Predicted)
• Flash Point: 211.9°C
• PSA: 104.06000
• Density: 1.044g/cm³
• LogP: 5.62840
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 12
• Exact Mass: 464.31378912
• Heavy Atom Count: 33
• Complexity: 664

Purity/Quality:

95% ^*data from raw suppliers

AEROCAVIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCC(CC1CC(CC(=CCC=CCC(=CC(=O)O1)CC(=O)O)C)O)O
• Isomeric SMILES: CCCCCCCCC[C@H](C[C@H]1C[C@@H](C/C(=C\C/C=C\C/C(=C\C(=O)O1)/CC(=O)O)/C)O)O

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