Cas no 5205-32-3 (2,4,6-Octatrienoic acid)
2,4,6-Octatrienoic acid structure
Product Name:2,4,6-Octatrienoic acid
CAS No:5205-32-3
MF:C8H10O2
MW:138.163802623749
CID:371081
Update Time:2025-04-19
2,4,6-Octatrienoic acid Chemical and Physical Properties
Names and Identifiers
-
- 2,4,6-Octatrienoic acid
- octa-2,4,6-trienoic acid
-
- Inchi： 1S/C8H10O2/c1-2-3-4-5-6-7-8(9)10/h2-7H,1H3,(H,9,10)/b3-2-,5-4+,7-6-
- InChI Key： IAAPVNQZSBLWKH-OFZCCQTHSA-N
- SMILES： C/C=C\C=C\C=C/C(=O)O
Computed Properties
- Exact Mass: 138.0681
- Monoisotopic Mass: 138.068
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 3
- Complexity: 176
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 3
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2
- Topological Polar Surface Area: 37.3A^2
Experimental Properties
- Density: 1.015
- Boiling Point: 283.3°Cat760mmHg
- Flash Point: 189.5°C
- Refractive Index: 1.512
- PSA: 37.3
- LogP: 1.75950
2,4,6-Octatrienoic acid Related Literature
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
5205-32-3 (2,4,6-Octatrienoic acid) Related Products
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