Cas no 819883-40-4 (Octanoic acid, 8-bromo-, 8-hydroxyoctyl ester)
819883-40-4 structure
Product Name:Octanoic acid, 8-bromo-, 8-hydroxyoctyl ester
CAS No:819883-40-4
MF:C16H31BrO3
MW:351.319545030594
CID:701778
PubChem ID:71420604
Update Time:2025-04-19
Octanoic acid, 8-bromo-, 8-hydroxyoctyl ester Chemical and Physical Properties
Names and Identifiers
-
- Octanoic acid, 8-bromo-, 8-hydroxyoctyl ester
- 8-hydroxyoctyl 8-bromooctanoate
- DTXSID30839789
- 819883-40-4
-
- Inchi： 1S/C16H31BrO3/c17-13-9-5-3-4-8-12-16(19)20-15-11-7-2-1-6-10-14-18/h18H,1-15H2
- InChI Key： RGMJYLIPMRBYBF-UHFFFAOYSA-N
- SMILES： BrCCCCCCCC(=O)OCCCCCCCCO
Computed Properties
- Exact Mass: 350.14566g/mol
- Monoisotopic Mass: 350.14566g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 16
- Complexity: 210
- 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: 4.8
- Topological Polar Surface Area: 46.5?2
Octanoic acid, 8-bromo-, 8-hydroxyoctyl ester Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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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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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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