Cas no 111680-88-7 (Heptanoic acid, 4-chloro-, anhydride with 4-chloroheptanoic acid)
111680-88-7 structure
Product Name:Heptanoic acid, 4-chloro-, anhydride with 4-chloroheptanoic acid
CAS No:111680-88-7
MF:C14H24Cl2O3
MW:311.244563102722
CID:2882955
PubChem ID:85535372
Update Time:2025-04-21
Heptanoic acid, 4-chloro-, anhydride with 4-chloroheptanoic acid Chemical and Physical Properties
Names and Identifiers
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- Heptanoic acid, 4-chloro-, anhydride with 4-chloroheptanoic acid
- DTXSID301173132
- 111680-88-7
-
- Inchi: 1S/C14H24Cl2O3/c1-3-5-11(15)7-9-13(17)19-14(18)10-8-12(16)6-4-2/h11-12H,3-10H2,1-2H3
- InChI Key: BICOYAVVIGGNQG-UHFFFAOYSA-N
- SMILES: ClC(CCC)CCC(=O)OC(CCC(CCC)Cl)=O
Computed Properties
- Exact Mass: 310.1102500Da
- Monoisotopic Mass: 310.1102500Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 12
- Complexity: 243
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.3
- Topological Polar Surface Area: 43.4?2
Heptanoic acid, 4-chloro-, anhydride with 4-chloroheptanoic acid Related Literature
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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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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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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