Cas no 6020-20-8 ()
structure
Product Name:
CAS No:6020-20-8
MF:C22H26ClNO5
MW:419.898545742035
CID:6766184
PubChem ID:90478941
Update Time:2024-03-03
Chemical and Physical Properties
Names and Identifiers
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- Inchi： 1S/C22H25NO5.ClH/c1-13-15-5-6-18(25-3)22(26-4)17(15)11-23(2)8-7-14-9-19-20(28-12-27-19)10-16(14)21(13)24;/h5-6,9-10,13H,7-8,11-12H2,1-4H3;1H/t13-;/m0./s1
- InChI Key： JEPOIXURZDSIJG-ZOWNYOTGSA-N
- SMILES： Cl.O1COC2C1=CC1=C(C=2)C([C@@H](C)C2C=CC(=C(C=2CN(C)CC1)OC)OC)=O
Computed Properties
- Exact Mass: 419.1499506g/mol
- Monoisotopic Mass: 419.1499506g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 29
- Rotatable Bond Count: 2
- Complexity: 557
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 57.2?2
Related Literature
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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L. Di Michele,D. Fiocco,F. Varrato,E. Eiser,G. Foffi Soft Matter, 2014,10, 3633-3648
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
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