Cas no 828262-67-5 (3,7-Octadien-1-yne, (3Z)-)
3,7-Octadien-1-yne, (3Z)- structure
Product Name:3,7-Octadien-1-yne, (3Z)-
CAS No:828262-67-5
MF:C8H10
MW:106.165002346039
CID:681858
PubChem ID:71417056
Update Time:2025-04-19
3,7-Octadien-1-yne, (3Z)- Chemical and Physical Properties
Names and Identifiers
-
- 3,7-Octadien-1-yne, (3Z)-
- octa-3,7-dien-1-yne
- DTXSID20836404
- 828262-67-5
-
- Inchi： 1S/C8H10/c1-3-5-7-8-6-4-2/h1,4-5,7H,2,6,8H2
- InChI Key： JHKRUZCFDHCMMA-UHFFFAOYSA-N
- SMILES： C(C=CC#C)CC=C
Computed Properties
- Exact Mass: 106.078250319g/mol
- 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: 120
- 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: 2.6
- Topological Polar Surface Area: 0?2
3,7-Octadien-1-yne, (3Z)- Related Literature
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1. 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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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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3. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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