Cas no 62247-87-4 (1,3-Cyclopentadiene, 1-butyl-)
1,3-Cyclopentadiene, 1-butyl- structure
Product Name:1,3-Cyclopentadiene, 1-butyl-
1,3-Cyclopentadiene, 1-butyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Cyclopentadiene, 1-butyl-
- 1-butylcyclopenta-1,3-diene
- DTXSID50275983
- 1,3-Cyclopentadiene, 1-butyl
- n-butyl cyclopentadiene
- butylcyclopentadiene
- butyl-cyclopentadiene
- n-butylcyclopentadiene
- 62247-87-4
-
- Inchi： 1S/C9H14/c1-2-3-6-9-7-4-5-8-9/h4-5,7H,2-3,6,8H2,1H3
- InChI Key： FTFYDDRPCCMKBT-UHFFFAOYSA-N
- SMILES： C(C1=CC=CC1)CCC
Computed Properties
- Exact Mass: 122.10962
- Monoisotopic Mass: 122.109550447g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 129
- 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: 3.3
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
1,3-Cyclopentadiene, 1-butyl- Related Literature
-
Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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