Cas no 251091-31-3 (2,4-Cyclohexadien-1-one,3,6-dihydroxy-2,6-dimethyl-4-[(2E,4E)-1-oxo-2,4-hexadienyl]-, (6S)-)
![2,4-Cyclohexadien-1-one,3,6-dihydroxy-2,6-dimethyl-4-[(2E,4E)-1-oxo-2,4-hexadienyl]-, (6S)- structure](https://ossimg.kuujia.com/scimg/251500/251091-31-3x500.png)
251091-31-3 structure
Product Name:2,4-Cyclohexadien-1-one,3,6-dihydroxy-2,6-dimethyl-4-[(2E,4E)-1-oxo-2,4-hexadienyl]-, (6S)-
CAS No:251091-31-3
MF:C14H16O4
MW:248.274444580078
CID:1420579
Update Time:2024-08-15
2,4-Cyclohexadien-1-one,3,6-dihydroxy-2,6-dimethyl-4-[(2E,4E)-1-oxo-2,4-hexadienyl]-, (6S)- Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Cyclohexadien-1-one,3,6-dihydroxy-2,6-dimethyl-4-[(2E,4E)-1-oxo-2,4-hexadienyl]-, (6S)-
- 2,4-Cyclohexadien-1-one, 3,6-dihydroxy-2,6-dimethyl-4-[(2E,4E)-1-oxo-2,4-hexadien-1-yl]-, (6S)-
-
- Inchi： 1S/C14H16O4/c1-4-5-6-7-11(15)10-8-14(3,18)13(17)9(2)12(10)16/h4-8,16,18H,1-3H3
- InChI Key： SJEYUYPBCPRFNM-UHFFFAOYSA-N
- SMILES： CC=CC=CC(C1C(O)=C(C)C(=O)C(O)(C)C=1)=O
Computed Properties
- Exact Mass: 248.10488
Experimental Properties
- Density: 1.238±0.06 g/cm3(Predicted)
- Boiling Point: 401.5±45.0 °C(Predicted)
- PSA: 74.6
- pka: 4.50±1.00(Predicted)
2,4-Cyclohexadien-1-one,3,6-dihydroxy-2,6-dimethyl-4-[(2E,4E)-1-oxo-2,4-hexadienyl]-, (6S)- Related Literature
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1. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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C. Achilli,G. F. Guidetti,A. Ciana,D. Capsoni,G. Minetti Biomater. Sci., 2016,4, 1417-1421
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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