Cas no 819883-41-5 (Octanoic acid, 8-bromo-, 9-hydroxynonyl ester)
819883-41-5 structure
Product Name:Octanoic acid, 8-bromo-, 9-hydroxynonyl ester
CAS No:819883-41-5
MF:C17H33BrO3
MW:365.346125364304
CID:701777
PubChem ID:71420603
Update Time:2025-04-19
Octanoic acid, 8-bromo-, 9-hydroxynonyl ester Chemical and Physical Properties
Names and Identifiers
-
- Octanoic acid, 8-bromo-, 9-hydroxynonyl ester
- 9-hydroxynonyl 8-bromooctanoate
- DTXSID70839788
- 819883-41-5
-
- Inchi： 1S/C17H33BrO3/c18-14-10-6-4-5-9-13-17(20)21-16-12-8-3-1-2-7-11-15-19/h19H,1-16H2
- InChI Key： SAAHRTLNNFNKCL-UHFFFAOYSA-N
- SMILES： BrCCCCCCCC(=O)OCCCCCCCCCO
Computed Properties
- Exact Mass: 364.16131g/mol
- Monoisotopic Mass: 364.16131g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 17
- Complexity: 222
- 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: 5.3
- Topological Polar Surface Area: 46.5?2
Octanoic acid, 8-bromo-, 9-hydroxynonyl ester Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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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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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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