Cas no 22031-56-7 ((E)-hept-2-enenitrile)
(E)-hept-2-enenitrile structure
Product Name:(E)-hept-2-enenitrile
CAS No:22031-56-7
MF:C7H11N
MW:109.168941736221
CID:912180
PubChem ID:6187413
Update Time:2025-04-19
(E)-hept-2-enenitrile Chemical and Physical Properties
Names and Identifiers
-
- (E)-hept-2-enenitrile
- NSC147128
- NSC147129
- NSC-147129
- 66478-41-9
- 22031-56-7
- SCHEMBL848248
- NSC-147128
-
- Inchi： 1S/C7H11N/c1-2-3-4-5-6-7-8/h5-6H,2-4H2,1H3/b6-5+
- InChI Key： JAIOXBDVPQJCCD-AATRIKPKSA-N
- SMILES： N#C/C=C/CCCC
Computed Properties
- Exact Mass: 109.089149355g/mol
- Monoisotopic Mass: 109.089149355g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 3
- Complexity: 105
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.3
- Topological Polar Surface Area: 23.8?2
(E)-hept-2-enenitrile Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
-
Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
22031-56-7 ((E)-hept-2-enenitrile) Related Products
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