Cas no 88260-32-6 (Octanoic acid, 3,8-dibromo-2-oxo-, ethyl ester)
88260-32-6 structure
Product Name:Octanoic acid, 3,8-dibromo-2-oxo-, ethyl ester
CAS No:88260-32-6
MF:C10H16Br2O3
MW:344.040242195129
CID:639460
PubChem ID:71409619
Update Time:2025-04-19
Octanoic acid, 3,8-dibromo-2-oxo-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Octanoic acid, 3,8-dibromo-2-oxo-, ethyl ester
- ethyl 3,8-dibromo-2-oxooctanoate
- 88260-32-6
- DTXSID40829358
-
- Inchi： 1S/C10H16Br2O3/c1-2-15-10(14)9(13)8(12)6-4-3-5-7-11/h8H,2-7H2,1H3
- InChI Key： VMCRDPYYILQAKS-UHFFFAOYSA-N
- SMILES： BrC(C(C(=O)OCC)=O)CCCCCBr
Computed Properties
- Exact Mass: 343.94457g/mol
- Monoisotopic Mass: 341.94662g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 9
- Complexity: 207
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.4
- Topological Polar Surface Area: 43.4?2
Octanoic acid, 3,8-dibromo-2-oxo-, ethyl ester Related Literature
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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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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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