Cas no 53838-47-4 (6-Methyloctanoyl chloride)
6-Methyloctanoyl chloride structure
Product Name:6-Methyloctanoyl chloride
CAS No:53838-47-4
MF:C9H17ClO
MW:176.683682203293
CID:2830955
PubChem ID:13684645
Update Time:2025-04-21
6-Methyloctanoyl chloride Chemical and Physical Properties
Names and Identifiers
-
- 53838-47-4
- SCHEMBL1409655
- DTXSID50546680
- 6-METHYLOCTANOYL CHLORIDE
- DTXCID30497464
- 6-Methyloctanoyl chloride
-
- Inchi： 1S/C9H17ClO/c1-3-8(2)6-4-5-7-9(10)11/h8H,3-7H2,1-2H3
- InChI Key： OQGKSVAVFKFRTH-UHFFFAOYSA-N
- SMILES： ClC(CCCCC(C)CC)=O
Computed Properties
- Exact Mass: 176.0967929Da
- Monoisotopic Mass: 176.0967929Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 6
- Complexity: 112
- 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: 4
- Topological Polar Surface Area: 17.1?2
6-Methyloctanoyl chloride Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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3. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Bo Chen,Xiaotong Shen,Zhangfeng Luo,Di Cai,Changjing Chen,Changwei Zhang,Peiyong Qin,Hui Cao,Tianwei Tan RSC Adv., 2018,8, 25602-25610
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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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