Cas no 104778-02-1 (9H-Carbazole,1,2,8-trimethoxy-6-methyl-)
104778-02-1 structure
Product Name:9H-Carbazole,1,2,8-trimethoxy-6-methyl-
CAS No:104778-02-1
MF:C16H17NO3
MW:271.311084508896
CID:139715
Update Time:2024-03-01
9H-Carbazole,1,2,8-trimethoxy-6-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 9H-Carbazole,1,2,8-trimethoxy-6-methyl-
- Murrayastine
- 9H-Carbazole, 1,2,8-trimethoxy-6-methyl-
-
- Inchi： 1S/C16H17NO3/c1-9-7-11-10-5-6-12(18-2)16(20-4)15(10)17-14(11)13(8-9)19-3/h5-8,17H,1-4H3
- InChI Key： OLQWUZUMRBBFFC-UHFFFAOYSA-N
- SMILES： N1C2=C(C=C(C)C=C2OC)C2=C1C(OC)=C(OC)C=C2
Computed Properties
- Exact Mass: 270.11308
- Monoisotopic Mass: 271.121
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 3
- Complexity: 338
- 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
- Topological Polar Surface Area: 43.5A^2
- XLogP3: 2.449
Experimental Properties
- Density: 1.209±0.06 g/cm3(Predicted)
- Boiling Point: 460.5±40.0 °C(Predicted)
- PSA: 40.58
- pka: 16.87±0.30(Predicted)
9H-Carbazole,1,2,8-trimethoxy-6-methyl- Related Literature
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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