Cas no 918503-24-9 (6-Octenoic acid, 2,2-dichloro-7-methyl-3-oxo-, ethyl ester)
918503-24-9 structure
Product Name:6-Octenoic acid, 2,2-dichloro-7-methyl-3-oxo-, ethyl ester
CAS No:918503-24-9
MF:C11H16Cl2O3
MW:267.148941993713
CID:774213
PubChem ID:71426961
Update Time:2025-04-19
6-Octenoic acid, 2,2-dichloro-7-methyl-3-oxo-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 6-Octenoic acid, 2,2-dichloro-7-methyl-3-oxo-, ethyl ester
- ethyl 2,2-dichloro-7-methyl-3-oxooct-6-enoate
- DTXSID20845713
- 918503-24-9
-
- Inchi： 1S/C11H16Cl2O3/c1-4-16-10(15)11(12,13)9(14)7-5-6-8(2)3/h6H,4-5,7H2,1-3H3
- InChI Key： ALHGHAJIIFFZMN-UHFFFAOYSA-N
- SMILES： ClC(C(=O)OCC)(C(CC/C=C(\C)/C)=O)Cl
Computed Properties
- Exact Mass: 266.0476498g/mol
- Monoisotopic Mass: 266.0476498g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 7
- Complexity: 292
- 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: 3.5
- Topological Polar Surface Area: 43.4?2
6-Octenoic acid, 2,2-dichloro-7-methyl-3-oxo-, ethyl ester Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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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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