Cas no 56315-18-5 (1,3,6-Heptatriene, 3-methyl-)
1,3,6-Heptatriene, 3-methyl- structure
Product Name:1,3,6-Heptatriene, 3-methyl-
CAS No:56315-18-5
MF:C8H12
MW:108.180882453918
CID:349249
PubChem ID:71444747
Update Time:2025-04-19
1,3,6-Heptatriene, 3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3,6-Heptatriene, 3-methyl-
- 3-methylhepta-1,3,6-triene
- 56315-18-5
- DTXSID90853502
-
- Inchi： 1S/C8H12/c1-4-6-7-8(3)5-2/h4-5,7H,1-2,6H2,3H3
- InChI Key： FPFFMFXHRMUXKQ-UHFFFAOYSA-N
- SMILES： C(C=C)C=C(C=C)C
Computed Properties
- Exact Mass: 108.09396
- Monoisotopic Mass: 108.093900383g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 8
- Rotatable Bond Count: 3
- Complexity: 107
- 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: 3.4
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
1,3,6-Heptatriene, 3-methyl- Related Literature
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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Jadwiga Frelek,Marcin Górecki,Marta ?aszcz,Agata Suszczyńska,Elemér Vass,Wojciech J. Szczepek Chem. Commun., 2012,48, 5295-5297
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3. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
56315-18-5 (1,3,6-Heptatriene, 3-methyl-) Related Products
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