Cas no 69414-34-2 (Oxiraneoctanoic acid, 3-hexyl-)
69414-34-2 structure
Product Name:Oxiraneoctanoic acid, 3-hexyl-
CAS No:69414-34-2
MF:C16H30O3
MW:270.407605648041
CID:1736331
Update Time:2024-11-27
Oxiraneoctanoic acid, 3-hexyl- Chemical and Physical Properties
Names and Identifiers
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- Oxiraneoctanoic acid, 3-hexyl-
- 2-Oxiraneoctanoic acid, 3-hexyl-
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- Inchi： 1S/C16H30O3/c1-2-3-4-8-11-14-15(19-14)12-9-6-5-7-10-13-16(17)18/h14-15H,2-13H2,1H3,(H,17,18)
- InChI Key： LJHZTUXMTXHFAK-UHFFFAOYSA-N
- SMILES： O1C(CCCCCC)C1CCCCCCCC(O)=O
Computed Properties
- Exact Mass: 270.2196
Experimental Properties
- Density: 0.968±0.06 g/cm3(Predicted)
- Boiling Point: 395.4±15.0 °C(Predicted)
- PSA: 49.83
- pka: 4.78±0.10(Predicted)
Oxiraneoctanoic acid, 3-hexyl- Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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