Cas no 55424-55-0 (Heptanedioic acid, 3-chloro-4-oxo-, diethyl ester)
55424-55-0 structure
Product Name:Heptanedioic acid, 3-chloro-4-oxo-, diethyl ester
CAS No:55424-55-0
MF:C11H17ClO5
MW:264.702683210373
CID:335855
PubChem ID:71441555
Update Time:2025-04-19
Heptanedioic acid, 3-chloro-4-oxo-, diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Heptanedioic acid, 3-chloro-4-oxo-, diethyl ester
- diethyl 3-chloro-4-oxoheptanedioate
- 55424-55-0
- DTXSID80850484
-
- Inchi： 1S/C11H17ClO5/c1-3-16-10(14)6-5-9(13)8(12)7-11(15)17-4-2/h8H,3-7H2,1-2H3
- InChI Key： ARQQQMHXWYBSHD-UHFFFAOYSA-N
- SMILES： ClC(CC(=O)OCC)C(CCC(=O)OCC)=O
Computed Properties
- Exact Mass: 264.0764513g/mol
- Monoisotopic Mass: 264.0764513g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 10
- Complexity: 277
- 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: 0.9
- Topological Polar Surface Area: 69.7?2
Heptanedioic acid, 3-chloro-4-oxo-, diethyl ester Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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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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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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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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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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