7-Phenethyl-1,4,6-androstatriene-3,17-dione

Base Information

• Chemical Name: 7-Phenethyl-1,4,6-androstatriene-3,17-dione
• CAS No.: 131802-67-0
• Molecular Formula: C27H30 O2
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID90927353
• Nikkaji Number: J468.239D
• Pharos Ligand ID: RMGMMN54URMZ
• ChEMBL ID: CHEMBL3754054
• Mol file: 131802-67-0.mol

Synonyms:7-PEATDO;7-phenethyl-1,4,6-androstatriene-3,17-dione;7-phenethylandrosta-1,4,6-triene-3,17-dione

Chemical Property of 7-Phenethyl-1,4,6-androstatriene-3,17-dione

Chemical Property:

• Vapor Pressure: 7.45E-13mmHg at 25°C
• Boiling Point: 566.5°C at 760 mmHg
• Flash Point: 207°C
• PSA: 34.14000
• Density: 1.15g/cm³
• LogP: 5.64240
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 386.224580195
• Heavy Atom Count: 29
• Complexity: 808

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C(C1CCC2=O)C(=CC4=CC(=O)C=CC34C)CCC5=CC=CC=C5
• Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C(=CC4=CC(=O)C=C[C@]34C)CCC5=CC=CC=C5

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