4-(8-Hydroxy-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-6(5h)-yl)butan-2-one-2,4,6-trinitrophenol(1:1)

Base Information

• Chemical Name: 4-(8-Hydroxy-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-6(5h)-yl)butan-2-one-2,4,6-trinitrophenol(1:1)
• CAS No.: 16675-69-7
• Molecular Formula: C20H20N4O11
• Molecular Weight: 492.4
• NSC Number: 131694
• DSSTox Substance ID: DTXSID20299636

Synonyms:16675-69-7;NSC131694;4-(8-hydroxy-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-6(5h)-yl)butan-2-one- 2,4,6-trinitrophenol(1:1);DTXSID20299636;NSC-131694

Chemical Property of 4-(8-Hydroxy-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-6(5h)-yl)butan-2-one-2,4,6-trinitrophenol(1:1)

Chemical Property:

• Vapor Pressure: 1.7E-08mmHg at 25°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 3
• Exact Mass: 492.11285747
• Heavy Atom Count: 35
• Complexity: 640

Purity/Quality:

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Useful:

• Canonical SMILES: CC(=O)CCN1CC(C2=CC3=C(C=C2C1)OCO3)O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

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