5-(2-Thienyl)-6,8-dioxa-3-azabicyclo(3.2.1)octane (Z)-2-butenedioate (1:1)

Base Information

• Chemical Name: 5-(2-Thienyl)-6,8-dioxa-3-azabicyclo(3.2.1)octane (Z)-2-butenedioate (1:1)
• CAS No.: 84508-93-0
• Molecular Formula: C13H15NO6S
• Molecular Weight: 313.32

Synonyms:5-(2-Thienyl)-6,8-dioxa-3-azabicyclo(3.2.1)octane (Z)-2-butenedioate (1:1);84508-93-0;6,8-Dioxa-3-azabicyclo(3.2.1)octane, 5-(2-thienyl)-, (Z)-2-butenedioate (1:1);C9H11NO2S.C4H4O4;C9-H11-N-O2-S.C4-H4-O4;LS-62147

Chemical Property of 5-(2-Thienyl)-6,8-dioxa-3-azabicyclo(3.2.1)octane (Z)-2-butenedioate (1:1)

Chemical Property:

• Vapor Pressure: 0.000282mmHg at 25°C
• Boiling Point: 322.3°C at 760 mmHg
• Flash Point: 148.7°C
• PSA: 133.33000
• LogP: 0.96010
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 313.06200837
• Heavy Atom Count: 21
• Complexity: 333

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: C1C2COC(O2)(CN1)C3=CC=CS3.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: C1C2COC(O2)(CN1)C3=CC=CS3.C(=C/C(=O)O)\C(=O)O

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