1-Butanone, 1-(4-fluorophenyl)-4-(1,3,4,4a,5,6,11,11a-octahydro-2H-pyrido(4,3-b)carbazol-2-yl)-, trans-, (E)-2-butenedioate (1:1)

Base Information

• Chemical Name: 1-Butanone, 1-(4-fluorophenyl)-4-(1,3,4,4a,5,6,11,11a-octahydro-2H-pyrido(4,3-b)carbazol-2-yl)-, trans-, (E)-2-butenedioate (1:1)
• CAS No.: 112853-81-3
• Molecular Formula: C29H31FN2O5
• Molecular Weight: 506.5652

Synonyms:1-Butanone, 1-(4-fluorophenyl)-4-(1,3,4,4a,5,6,11,11a-octahydro-2H-pyrido(4,3-b)carbazol-2-yl)-, trans-, (E)-2-butenedioate (1:1);112853-81-3;C25-H27-F-N2-O.C4-H4-O4;LS-46782

Chemical Property of 1-Butanone, 1-(4-fluorophenyl)-4-(1,3,4,4a,5,6,11,11a-octahydro-2H-pyrido(4,3-b)carbazol-2-yl)-, trans-, (E)-2-butenedioate (1:1)

Chemical Property:

• Vapor Pressure: 1.45E-13mmHg at 25°C
• Boiling Point: 582.7°Cat760mmHg
• Flash Point: 306.2°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 506.22170026
• Heavy Atom Count: 37
• Complexity: 694

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: C1CN(CC2C1CC3=C(C2)C4=CC=CC=C4N3)CCCC(=O)C5=CC=C(C=C5)F.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: C1CN(C[C@H]2[C@H]1CC3=C(C2)C4=CC=CC=C4N3)CCCC(=O)C5=CC=C(C=C5)F.C(=C/C(=O)O)\C(=O)O

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