Cas no 196503-34-1 (Propanedioic acid, monooctyl ester)
196503-34-1 structure
Product Name:Propanedioic acid, monooctyl ester
CAS No:196503-34-1
MF:C11H19O4
MW:215.266164064407
CID:2788937
PubChem ID:21470922
Update Time:2025-04-21
Propanedioic acid, monooctyl ester Chemical and Physical Properties
Names and Identifiers
-
- 3-(Octyloxy)-3-oxopropanoate
- AKOS030255576
- DTXSID30614351
- Propanedioic acid, monooctyl ester
- 196503-34-1
-
- Inchi： 1S/C11H20O4/c1-2-3-4-5-6-7-8-15-11(14)9-10(12)13/h2-9H2,1H3,(H,12,13)/p-1
- InChI Key： TWVLIAALYDUWFK-UHFFFAOYSA-M
- SMILES： O(C(CC(=O)[O-])=O)CCCCCCCC
Computed Properties
- Exact Mass: 215.12833408Da
- Monoisotopic Mass: 215.12833408Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 9
- Complexity: 184
- 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: 3.8
- Topological Polar Surface Area: 66.4?2
Propanedioic acid, monooctyl ester Related Literature
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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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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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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