ESTRA-1,3,5(10)-TRIEN-17-beta-OL, 17-alpha-BUTADIYNYL-3-METHOXY-

Base Information

• Chemical Name: ESTRA-1,3,5(10)-TRIEN-17-beta-OL, 17-alpha-BUTADIYNYL-3-METHOXY-
• CAS No.: 1986-48-7
• Molecular Formula: C23H26O2
• Molecular Weight: 334.4513
• UNII: 4929322J9N
• DSSTox Substance ID: DTXSID90173611
• Nikkaji Number: J71.377E
• Wikidata: Q27896261
• Mol file: 1986-48-7.mol

Synonyms:BRN 2008716;ESTRA-1,3,5(10)-TRIEN-17-beta-OL, 17-alpha-BUTADIYNYL-3-METHOXY-;1986-48-7;17-alpha-Butadiynyl-3-methoxyestra-1,3,5(10)-trien-17-beta-ol;4929322J9N;17-alpha-Butadiynyl-17-beta-hydroxy-3-methoxy-1,3,5(10)-estratriene;17-Butadiynyl-3-methoxy-estra-1,3,5(10)-trien-17beta-ol;DTXSID90173611;UNII-4929322J9N;C23H26O2;LS-64796;Q27896261;17-BUTADIYNYL-3-METHOXY-ESTRA-1,3,5(10)-TRIEN-17.BETA.-OL;17alpha-(1,3-Butadiynyl)-3-methoxyestra-1,3,5(10)-trien-17beta-ol;ESTRA-1,3,5(10)-TRIEN-17.BETA.-OL, 17-BUTADIYNYL-3-METHOXY-

Chemical Property of ESTRA-1,3,5(10)-TRIEN-17-beta-OL, 17-alpha-BUTADIYNYL-3-METHOXY-

Chemical Property:

• Vapor Pressure: 3.47E-10mmHg at 25°C
• Boiling Point: 484.2°Cat760mmHg
• Flash Point: 214°C
• Density: 1.17g/cm³
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 334.193280068
• Heavy Atom Count: 25
• Complexity: 645

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C(C1CCC2(C#CC#C)O)CCC4=C3C=CC(=C4)OC
• Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#CC#C)O)CCC4=C3C=CC(=C4)OC