Cas no 87686-99-5 (3H-Phenoxazin-3-one, 7-(hexyloxy)-)
87686-99-5 structure
Product Name:3H-Phenoxazin-3-one, 7-(hexyloxy)-
CAS No:87686-99-5
MF:C18H19NO3
MW:297.348365068436
CID:653516
PubChem ID:71412352
Update Time:2025-04-19
3H-Phenoxazin-3-one, 7-(hexyloxy)- Chemical and Physical Properties
Names and Identifiers
-
- 3H-Phenoxazin-3-one, 7-(hexyloxy)-
- 7-hexoxyphenoxazin-3-one
- DTXSID90831906
- 7-(Hexyloxy)-3H-phenoxazin-3-one
- 87686-99-5
-
- Inchi： 1S/C18H19NO3/c1-2-3-4-5-10-21-14-7-9-16-18(12-14)22-17-11-13(20)6-8-15(17)19-16/h6-9,11-12H,2-5,10H2,1H3
- InChI Key： YRHJSJPOVHLYQM-UHFFFAOYSA-N
- SMILES： O(C1C=CC2=C(C=1)OC1=CC(C=CC1=N2)=O)CCCCCC
Computed Properties
- Exact Mass: 297.13649347g/mol
- Monoisotopic Mass: 297.13649347g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 6
- Complexity: 507
- 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: 3.8
- Topological Polar Surface Area: 47.9?2
3H-Phenoxazin-3-one, 7-(hexyloxy)- Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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