Isoquinoline-1,3,4-Trione
[CAS# 521-73-3]

Identification

• Name: Isoquinoline-1,3,4-Trione
• Synonyms: 1,3,4(2H)-Isoquinolinetrione; 1,3,4-(2H)Isoquinolinetrione; 5-21-11-00575 (Beilstein Handbook Reference)
• Molecular Formula: C₉H₅NO₃
• Molecular Weight: 175.14
• CAS Registry Number: 521-73-3
• SMILES: C1=CC2=C(C=C1)C(NC(C2=O)=O)=O
• InChI: 1S/C9H5NO3/c11-7-5-3-1-2-4-6(5)8(12)10-9(7)13/h1-4H,(H,10,12,13)
• InChIKey: YIOFGHHAURBGSJ-UHFFFAOYSA-N

Properties

• Density: 1.438g/cm³ (Cal.)

References

• (1): Chengmei Huang, Haitao Yu, Zhengrui Miao, Jie Zhou, Shuai Wang, Hoong-Kun Fun, Jianhua Xu and Yan Zhang. Facile synthesis of spiroisoquinolines based on photocycloaddition of isoquinoline-1,3,4-trione with oxazoles, Org. Biomol. Chem., 2011, 9, 3629.