Cas no 88534-45-6 (3,7-Octadienoic acid)
3,7-Octadienoic acid structure
Product Name:3,7-Octadienoic acid
CAS No:88534-45-6
MF:C8H12O2
MW:140.179682731628
CID:629655
PubChem ID:71318533
Update Time:2025-04-19
3,7-Octadienoic acid Chemical and Physical Properties
Names and Identifiers
-
- 3,7-Octadienoic acid
- octa-3,7-dienoic acid
- 88534-45-6
- DTXSID20748634
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- Inchi： 1S/C8H12O2/c1-2-3-4-5-6-7-8(9)10/h2,5-6H,1,3-4,7H2,(H,9,10)
- InChI Key： KTAWMPDTYVDICX-UHFFFAOYSA-N
- SMILES： OC(CC=CCCC=C)=O
Computed Properties
- Exact Mass: 140.083729621g/mol
- Monoisotopic Mass: 140.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 5
- Complexity: 136
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 1.8
- Topological Polar Surface Area: 37.3?2
3,7-Octadienoic acid Related Literature
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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