Cas no 3642-10-2 (octa-1,2,6,7-teraene)
octa-1,2,6,7-teraene structure
Product Name:octa-1,2,6,7-teraene
octa-1,2,6,7-teraene Chemical and Physical Properties
Names and Identifiers
-
- octa-1,2,6,7-teraene
- 3642-10-2
- CH2=C=CH(CH2)2CH=C=CH2
- 1,2,6,7-octatetraen
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- Inchi： 1S/C8H10/c1-3-5-7-8-6-4-2/h5-6H,1-2,7-8H2
- InChI Key： YTNGLTTXVJWZKF-UHFFFAOYSA-N
- SMILES： C(C=C=C)CC=C=C
Computed Properties
- Exact Mass: 106.0783
- Monoisotopic Mass: 106.078250319g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 8
- Rotatable Bond Count: 3
- 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: 0
- XLogP3: 1.6
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
octa-1,2,6,7-teraene Related Literature
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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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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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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