Cas no 149231-57-2 (2,6-Octadienal)
2,6-Octadienal structure
Product Name:2,6-Octadienal
CAS No:149231-57-2
MF:C8H12O
MW:124.180282592773
CID:1321104
PubChem ID:62121
Update Time:2025-04-20
2,6-Octadienal Chemical and Physical Properties
Names and Identifiers
-
- 2,6-Octadienal
- 1-2,6-octadienal
- (E,E)-2,6-octadien-1-al
- DTXSID60866588
- octa-2,6-dienal
- 149231-57-2
-
- Inchi： 1S/C8H12O/c1-2-3-4-5-6-7-8-9/h2-3,6-8H,4-5H2,1H3
- InChI Key： CBXNRMOWVZUZQA-UHFFFAOYSA-N
- SMILES： O=CC=CCCC=CC
Computed Properties
- Exact Mass: 124.08886
- Monoisotopic Mass: 124.088815002g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 4
- Complexity: 112
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 2
- XLogP3: 1.8
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
2,6-Octadienal Related Literature
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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