Cas no 57357-81-0 (1,5-Cyclononadiene)
1,5-Cyclononadiene structure
Product Name:1,5-Cyclononadiene
CAS No:57357-81-0
MF:C9H14
MW:122.207462787628
CID:1604128
Update Time:2024-09-11
1,5-Cyclononadiene Chemical and Physical Properties
Names and Identifiers
-
- 1,5-Cyclononadiene
- cyclonona-1,5-diene
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- Inchi： 1S/C9H14/c1-2-4-6-8-9-7-5-3-1/h1-2,7,9H,3-6,8H2/b2-1-,9-7-
- InChI Key： UWMOLRCQDVCRLG-NQOXHWNZSA-N
- SMILES： C1CCCC=CCCC=1 |c:4,8|
Computed Properties
- Exact Mass: 122.10962
- Monoisotopic Mass: 122.11
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 95.2
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 2
Experimental Properties
- Density: 0.835±0.06 g/cm3(Predicted)
- Boiling Point: 172.7±20.0 °C(Predicted)
- PSA: 0
1,5-Cyclononadiene Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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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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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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