Einecs 257-761-9

Base Information

• Chemical Name: Einecs 257-761-9
• CAS No.: 52230-62-3
• Molecular Formula: C24H36 O3
• Molecular Weight: 512.80664
• European Community (EC) Number: 257-761-9
• DSSTox Substance ID: DTXSID70966609
• Nikkaji Number: J279.487J
• Wikidata: Q82949025
• Mol file: 52230-62-3.mol

Synonyms:52230-62-3;EINECS 257-761-9;SCHEMBL17419490;DTXSID70966609;17beta-((1-oxohexyl)oxy)estr-4-3-one;17beta-[(1-Oxohexyl)oxy]estr-4-en-3-one;(17beta)-17-[(1-Oxohexyl)oxy]estr-4-en-3-one

Chemical Property of Einecs 257-761-9

Chemical Property:

• Vapor Pressure: 9.28E-10mmHg at 25°C
• Boiling Point: 490.3°C at 760 mmHg
• Flash Point: 210.5°C
• PSA: 43.37000
• Density: 1.08g/cm³
• LogP: 5.62030
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 372.26644501
• Heavy Atom Count: 27
• Complexity: 621

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=O)CCC34)C
• Isomeric SMILES: CCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C