Cas no 29527-66-0 (2H-1-Benzopyran-2-one, 7-[(3,7-dimethyl-2,6-octadienyl)oxy]-)
![2H-1-Benzopyran-2-one, 7-[(3,7-dimethyl-2,6-octadienyl)oxy]- structure](https://ossimg.kuujia.com/scimg/30000/29527-66-0x500.png)
29527-66-0 structure
Product Name:2H-1-Benzopyran-2-one, 7-[(3,7-dimethyl-2,6-octadienyl)oxy]-
CAS No:29527-66-0
MF:C19H22O3
MW:298.376185894012
CID:1439931
Update Time:2024-08-15
2H-1-Benzopyran-2-one, 7-[(3,7-dimethyl-2,6-octadienyl)oxy]- Chemical and Physical Properties
Names and Identifiers
-
- 2H-1-Benzopyran-2-one, 7-[(3,7-dimethyl-2,6-octadienyl)oxy]-
- 2H-1-Benzopyran-2-one, 7-[(3,7-dimethyl-2,6-octadien-1-yl)oxy]-
-
- Inchi： 1S/C19H22O3/c1-14(2)5-4-6-15(3)11-12-21-17-9-7-16-8-10-19(20)22-18(16)13-17/h5,7-11,13H,4,6,12H2,1-3H3
- InChI Key： RSDDHGSKLOSQFK-UHFFFAOYSA-N
- SMILES： C1(=O)OC2=CC(OCC=C(C)CC/C=C(\C)/C)=CC=C2C=C1
Computed Properties
- Exact Mass: 298.15696
- Monoisotopic Mass: 298.157
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 22
- Rotatable Bond Count: 6
- Complexity: 469
- 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: 5.3
Experimental Properties
- Density: 1.079±0.06 g/cm3(Predicted)
- Melting Point: 68 °C
- Boiling Point: 455.5±45.0 °C(Predicted)
- PSA: 35.53
2H-1-Benzopyran-2-one, 7-[(3,7-dimethyl-2,6-octadienyl)oxy]- Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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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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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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