19-Acetylenic-deoxycorticosterone

Base Information

• Chemical Name: 19-Acetylenic-deoxycorticosterone
• CAS No.: 127080-69-7
• Molecular Formula: C23H30 O3
• Molecular Weight: 354.4825
• Nikkaji Number: J642.661A
• Mol file: 127080-69-7.mol

Synonyms:19-Ac-DOC;19-acetylenic-deoxycorticosterone

Chemical Property of 19-Acetylenic-deoxycorticosterone

Chemical Property:

• Vapor Pressure: 8.99E-13mmHg at 25°C
• Boiling Point: 515.3°Cat760mmHg
• Flash Point: 279.5°C
• PSA: 54.37000
• Density: 1.16g/cm³
• LogP: 3.69930
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 354.21949481
• Heavy Atom Count: 26
• Complexity: 710

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C(C1CCC2C(=O)CO)CCC4=CC(=O)CCC34CC#C
• Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34CC#C