Cas no 236-88-4 (5,8-Methanoquinazoline(8CI,9CI))
236-88-4 structure
Product Name:5,8-Methanoquinazoline(8CI,9CI)
5,8-Methanoquinazoline(8CI,9CI) Chemical and Physical Properties
Names and Identifiers
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- 5,8-Methanoquinazoline(8CI,9CI)
- CTK1A0792
- 236-88-4
- 3,5-diazatricyclo[6.2.1.0,undeca-1(10),2,4,6,8-pentaene
- DTXSID10664036
- 5,8-Methanoquinazoline
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- Inchi： 1S/C9H6N2/c1-2-7-3-6(1)8-4-10-5-11-9(7)8/h1-2,4-5H,3H2
- InChI Key： GYJBHPYIIPTNAK-UHFFFAOYSA-N
- SMILES： N1=CN=CC2C1=C1C=CC=2C1
Computed Properties
- Exact Mass: 142.05318
- Monoisotopic Mass: 142.053098200g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 169
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.5
- Topological Polar Surface Area: 25.8?2
Experimental Properties
- PSA: 25.78
5,8-Methanoquinazoline(8CI,9CI) Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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