Cas no 821-74-9 (4,5-Nonadiene)
4,5-Nonadiene structure
Product Name:4,5-Nonadiene
4,5-Nonadiene Chemical and Physical Properties
Names and Identifiers
-
- 4,5-Nonadiene
- nona-4,5-diene
- DTXSID50338426
- NYLHDUHTALIPLY-UHFFFAOYSA-N
- 821-74-9
-
- Inchi： 1S/C9H16/c1-3-5-7-9-8-6-4-2/h7-8H,3-6H2,1-2H3
- InChI Key： NYLHDUHTALIPLY-UHFFFAOYSA-N
- SMILES： C(C)CC=C=CCCC
Computed Properties
- Exact Mass: 124.125200510g/mol
- Monoisotopic Mass: 124.125200510g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 9
- Rotatable Bond Count: 4
- Complexity: 79.1
- 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: 3.2
- Topological Polar Surface Area: 0?2
4,5-Nonadiene Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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