Cas no 24587-26-6 (1,3,5-Hexatriene,3-methyl-, (3E)-)
24587-26-6 structure
Product Name:1,3,5-Hexatriene,3-methyl-, (3E)-
1,3,5-Hexatriene,3-methyl-, (3E)- Chemical and Physical Properties
Names and Identifiers
-
- trans-3-Methyl-1,3,5-Hexatriene
- (3E)-3-methylhexa-1,3,5-triene
- 1,3,5-Hexatriene,3-methyl-, (3E)-
- 1,3,5-Hexatriene, 3-methyl-, (E)-
- 24587-26-6
- (3E)-3-Methyl-1,3,5-hexatriene #
- e-3-methyl-1 ,3,5-hexatriene
- NEVFABBVOIJXHE-VOTSOKGWSA-N
-
- Inchi： 1S/C7H10/c1-4-6-7(3)5-2/h4-6H,1-2H2,3H3/b7-6+
- InChI Key： NEVFABBVOIJXHE-VOTSOKGWSA-N
- SMILES： C(/C=C)(=C\C=C)\C
Computed Properties
- Exact Mass: 94.0783
- Monoisotopic Mass: 94.07825
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 7
- Rotatable Bond Count: 2
- Complexity: 96.6
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 0
- XLogP3: 3.1
Experimental Properties
- Density: 0.737
- Boiling Point: 107.1°Cat760mmHg
- Flash Point: 1.8°C
- Refractive Index: 1.442
- PSA: 0
1,3,5-Hexatriene,3-methyl-, (3E)- Related Literature
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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