Cas no 830335-05-2 (5-Hexenal, 4-oxo-)
5-Hexenal, 4-oxo- structure
Product Name:5-Hexenal, 4-oxo-
CAS No:830335-05-2
MF:C6H8O2
MW:112.126522064209
CID:679035
PubChem ID:12180513
Update Time:2025-04-19
5-Hexenal, 4-oxo- Chemical and Physical Properties
Names and Identifiers
-
- 5-Hexenal, 4-oxo-
- 4-oxohex-5-enal
- SCHEMBL3630246
- 830335-05-2
- DTXSID30479381
-
- Inchi： 1S/C6H8O2/c1-2-6(8)4-3-5-7/h2,5H,1,3-4H2
- InChI Key： UXFTZFUPRSHIOT-UHFFFAOYSA-N
- SMILES： O=C(C=C)CCC=O
Computed Properties
- Exact Mass: 112.052429494g/mol
- Monoisotopic Mass: 112.052429494g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 4
- Complexity: 105
- 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: -0.1
- Topological Polar Surface Area: 34.1?2
5-Hexenal, 4-oxo- Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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