Cas no 28590-30-9 (Oxiranedodecanoic acid, 3-octyl-)
28590-30-9 structure
Product Name:Oxiranedodecanoic acid, 3-octyl-
CAS No:28590-30-9
MF:C22H42O3
MW:354.567087650299
CID:1435501
PubChem ID:543856
Update Time:2025-04-20
Oxiranedodecanoic acid, 3-octyl- Chemical and Physical Properties
Names and Identifiers
-
- Oxiranedodecanoic acid, 3-octyl-
- 12-(3-octyloxiran-2-yl)dodecanoic acid
- SCHEMBL9663095
- Ppolypropylene(melt flow rate)
- DTXSID20864146
- DTXSID10337657
- cis-13,14-Epoxydocosanoic acid
- 28590-30-9
-
- Inchi： 1S/C22H42O3/c1-2-3-4-5-11-14-17-20-21(25-20)18-15-12-9-7-6-8-10-13-16-19-22(23)24/h20-21H,2-19H2,1H3,(H,23,24)
- InChI Key： NSYDMBURIUSUDH-UHFFFAOYSA-N
- SMILES： O1C(CCCCCCCC)C1CCCCCCCCCCCC(=O)O
Computed Properties
- Exact Mass: 354.31356
- Monoisotopic Mass: 354.31339520g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 25
- Rotatable Bond Count: 19
- Complexity: 316
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 8.3
- Topological Polar Surface Area: 49.8?2
Experimental Properties
- PSA: 49.83
Oxiranedodecanoic acid, 3-octyl- Related Literature
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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