Kaempferide Cas No. 491-54-3
Cov ntaub ntawv tseem ceeb
CAS Nr .: 491-54-3
Qhov ceev: 1.5 ± 0.1 g / cm3
Kub taw tes: 543.8 ± 50.0 ° C ntawm 760 mmHg
Melting Point: 156-157 ℃ (lit.)
Cov roj formula: C16H12O6
Molecular Luj: 300.263
Flash Point: 207.1 ± 23.6 ° C
PIB: 300.063385
PSA: 100.13000, logP: 2.74
Vapor Siab: 0.0 ± 1.5 mmHg ntawm 25 ° C
Refractive Index: 1.710
Cia txias: 2-8 ° C
Molecular Structure
Molar Refractive Index:76.232 ib
Molar ntim: (cm3 / mol):195.13 Nws
Isotonic tshwj xeeb ntim (90.2k):578.04 ib
Nto nro (dyne / cm):77.05 ib
Polarizability (10-24cm3):30.22 Nws
Computational Chemistry
1. Tus nqi siv rau hydrophobic parameter suav (xlogp): Tsis muaj
2. Tus naj npawb ntawm cov nyiaj pub dawb hydrogen: 3
3. Tus naj npawb ntawm hydrogen bond receptors: 6
4. Number of rotatable chemical bonds: 2
5. Tus naj npawb ntawm tautomers: 24
6. Topological molecular polarity nto thaj tsam 96.2
7. Tus naj npawb ntawm cov atom hnyav: 22
8. Nto nqi: 0
9. Sib: 465
10. Tus naj npawb ntawm isotopic atoms: 0
11. Txiav txim seb tus naj npawb ntawm atomic stereocenters: 0
12. Tus naj npawb ntawm cov tsis paub meej atomic stereocenters: 0
13. Txiav txim seb tus naj npawb ntawm cov tshuaj stereocenters: 0
14. Number of indeterminate chemical bond stereocenters: 0
15. Number of covalent bond units: 1