Cas no 89186-13-0 (2-Nonenal, 4-oxo-)
2-Nonenal, 4-oxo- structure
Product Name:2-Nonenal, 4-oxo-
CAS No:89186-13-0
MF:C9H14O2
MW:154.206263065338
CID:609520
Update Time:2024-01-31
2-Nonenal, 4-oxo- Chemical and Physical Properties
Names and Identifiers
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- 2-Nonenal, 4-oxo-
- 4-oxonon-2-enal
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- Inchi： 1S/C9H14O2/c1-2-3-4-6-9(11)7-5-8-10/h5,7-8H,2-4,6H2,1H3
- InChI Key： SEPPVOUBHWNCAW-UHFFFAOYSA-N
- SMILES： C(=O)C=CC(=O)CCCCC
Computed Properties
- Exact Mass: 154.099
- Monoisotopic Mass: 154.099
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 6
- Complexity: 148
- 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
Experimental Properties
- Density: 0.933±0.06 g/cm3(Predicted)
- Boiling Point: 258.1±23.0 °C(Predicted)
2-Nonenal, 4-oxo- Related Literature
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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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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