Cas no 89062-28-2 (2,6-Heptadienenitrile)
2,6-Heptadienenitrile structure
Product Name:2,6-Heptadienenitrile
CAS No:89062-28-2
MF:C7H9N
MW:107.153061628342
CID:613765
PubChem ID:53682361
Update Time:2025-04-19
2,6-Heptadienenitrile Chemical and Physical Properties
Names and Identifiers
-
- 2,6-Heptadienenitrile
- hepta-2,6-dienenitrile
- 89062-28-2
- DTXSID40705921
-
- Inchi： 1S/C7H9N/c1-2-3-4-5-6-7-8/h2,5-6H,1,3-4H2
- InChI Key： BHMQZUGZYQLEOU-UHFFFAOYSA-N
- SMILES： N#CC=CCCC=C
Computed Properties
- Exact Mass: 107.073
- Monoisotopic Mass: 107.073
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 3
- Complexity: 125
- 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: 1.8
- Topological Polar Surface Area: 23.8?2
2,6-Heptadienenitrile Related Literature
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
89062-28-2 (2,6-Heptadienenitrile) Related Products
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