Cas no 86761-37-7 (Acetic acid--[(1-chloro-3-hydroxypropan-2-yl)oxy]methyl acetate (1/1))
![Acetic acid--[(1-chloro-3-hydroxypropan-2-yl)oxy]methyl acetate (1/1) structure](https://ossimg.kuujia.com/scimg/87000/86761-37-7x500.png)
86761-37-7 structure
Product Name:Acetic acid--[(1-chloro-3-hydroxypropan-2-yl)oxy]methyl acetate (1/1)
CAS No:86761-37-7
MF:C8H15ClO6
MW:242.654102563858
CID:2809517
PubChem ID:71406044
Update Time:2025-04-21
Acetic acid--[(1-chloro-3-hydroxypropan-2-yl)oxy]methyl acetate (1/1) Chemical and Physical Properties
Names and Identifiers
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- 86761-37-7
- Acetic acid--[(1-chloro-3-hydroxypropan-2-yl)oxy]methyl acetate (1/1)
- DTXSID80826664
-
- Inchi： 1S/C6H11ClO4.C2H4O2/c1-5(9)10-4-11-6(2-7)3-8;1-2(3)4/h6,8H,2-4H2,1H3;1H3,(H,3,4)
- InChI Key： ONQJDXOAKWOFDM-UHFFFAOYSA-N
- SMILES： ClCC(CO)OCOC(C)=O.OC(C)=O
Computed Properties
- Exact Mass: 242.0557159Da
- Monoisotopic Mass: 242.0557159Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 148
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 93.1?2
Acetic acid--[(1-chloro-3-hydroxypropan-2-yl)oxy]methyl acetate (1/1) Related Literature
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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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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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