21-Hydroxy-3,20-dioxopregn-4-en-19-oate

Base Information

• Chemical Name: 21-Hydroxy-3,20-dioxopregn-4-en-19-oate
• CAS No.: 81309-33-3
• Molecular Formula: C21H28O5
• Molecular Weight: 360.444
• Mol file: 81309-33-3.mol

Synonyms:21-hydroxy-3,20-dioxopregn-4-en-19-oate;21-hydroxy-3,20-dioxopregn-4-en-19-oic acid anion

Chemical Property of 21-Hydroxy-3,20-dioxopregn-4-en-19-oate

Chemical Property:

• Vapor Pressure: 1.26E-15mmHg at 25°C
• Boiling Point: 575.2°Cat760mmHg
• Flash Point: 315.7°C
• PSA: 91.67000
• Density: 1.28g/cm³
• LogP: 2.76060
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 360.19367399
• Heavy Atom Count: 26
• Complexity: 695

Purity/Quality:

98.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC12CCC3C(C1CCC2C(=O)CO)CCC4=CC(=O)CCC34C(=O)O
• Isomeric SMILES: C[C@]12CCC3C(C1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34C(=O)O