Cas no 51100-70-0 (Heptanoic acid, 7-iodo-, ethyl ester)
51100-70-0 structure
Product Name:Heptanoic acid, 7-iodo-, ethyl ester
CAS No:51100-70-0
MF:C9H17IO2
MW:284.134555578232
CID:363248
PubChem ID:10660673
Update Time:2025-04-19
Heptanoic acid, 7-iodo-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Heptanoic acid, 7-iodo-, ethyl ester
- ethyl 7-iodoheptanoate
- SCHEMBL1367338
- A1-05740
- 51100-70-0
- ethyl-7-iodoheptanoate
- DTXSID30443204
- VMIBXGDYRRTQMO-UHFFFAOYSA-N
- starbld0048966
-
- Inchi： 1S/C9H17IO2/c1-2-12-9(11)7-5-3-4-6-8-10/h2-8H2,1H3
- InChI Key： VMIBXGDYRRTQMO-UHFFFAOYSA-N
- SMILES： ICCCCCCC(=O)OCC
Computed Properties
- Exact Mass: 284.02691
- Monoisotopic Mass: 284.02733g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 8
- Complexity: 115
- 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: 3.7
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Heptanoic acid, 7-iodo-, ethyl ester Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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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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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
51100-70-0 (Heptanoic acid, 7-iodo-, ethyl ester) Related Products
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