4-(6,8-Dioxa-3-azabicyclo(3.2.1)oct-5-yl)benzonitrile (Z)-2-butenedioate (1:1)

Base Information

• Chemical Name: 4-(6,8-Dioxa-3-azabicyclo(3.2.1)oct-5-yl)benzonitrile (Z)-2-butenedioate (1:1)
• CAS No.: 84509-14-8
• Molecular Formula: C16H16N2O6
• Molecular Weight: 332.31
• Mol file: 84509-14-8.mol

Synonyms:4-(6,8-Dioxa-3-azabicyclo(3.2.1)oct-5-yl)benzonitrile (Z)-2-butenedioate (1:1);84509-14-8;Benzonitrile, 4-(6,8-dioxa-3-azabicyclo(3.2.1)oct-5-yl)-, (Z)-2-butenedioate (1:1);C12H12N2O2.C4H4O4;C12-H12-N2-O2.C4-H4-O4;LS-38707

Chemical Property of 4-(6,8-Dioxa-3-azabicyclo(3.2.1)oct-5-yl)benzonitrile (Z)-2-butenedioate (1:1)

Chemical Property:

• Vapor Pressure: 4.25E-06mmHg at 25°C
• Boiling Point: 383.9°C at 760 mmHg
• Flash Point: 186°C
• PSA: 0.00000
• LogP: 0.00000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 332.10083623
• Heavy Atom Count: 24
• Complexity: 435

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C2COC(O2)(CN1)C3=CC=C(C=C3)C#N.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: C1C2COC(O2)(CN1)C3=CC=C(C=C3)C#N.C(=C/C(=O)O)\C(=O)O