Structural formula
| Business number | 01BN |
|---|---|
| Molecular formula | C15H14O5 |
| Molecular weight | 274.28 |
| label |
β-(4-Hydroxyphenyl)-2,4,6-trihydroxypropiophenone, 3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-1-propanone, 2′,4′,6′-Trihydroxy-3-(4-hydroxyphenyl)propiophenone |
Numbering system
CAS number:60-82-2
MDL number:MFCD00002288
EINECS number:200-488-7
RTECS number:None
BRN number:1887240
PubChem number:24278652
Physical property data
1. SexShape: needle-like crystal. Hygroscopic.
2. Density (g/mL,25/4℃): Undetermined
3. Relative vapor density ( g/mL,Air=1): Undetermined
4. Melting point (ºC): 262℃ decomposition
5. Boiling point (ºC,Normal pressure): Undetermined
6. Boiling point (ºC,5.2kPa): Undetermined
7. Refractive index: Undetermined
8. Flashpoint (ºC): Undetermined
9. Specific optical rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa,25ºC): Undetermined
12. Saturation vapor pressure (kPa,60ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (5. Molecular property data:
1. Molar refractive index: 72.92
2. Molar volume (m3/mol）：191.8
3. isotonic specific volume (90.2K):564.4
4. Surface Tension (dyne/cm):74.8
5. Polarizability（10-24cm3): 28.91
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 2.6
2. Number of hydrogen bond donors: 4
3. Number of hydrogen bond acceptors: 5
4. Number of rotatable chemical bonds: 4
5. Number of tautomers: 50
6. Topological molecule polar surface area 98
7. Number of heavy atoms: 20
8. Surface charge: 0
9. Complexity: 312
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None yet
Storage method
This product should be sealed with argon gas4Store dry at ℃.
Synthesis method
None yet
Purpose
For biochemical research.
. Number of rotatable chemical bonds: 4
5. Number of tautomers: 50
6. Topological molecule polar surface area 98
7. Heavy atoms Number: 20
8. Surface charge: 0
9. Complexity: 312
10. Number of isotope atoms: 0
11. Determine the number of stereocenters of atoms: 0
12. Determine the number of stereocenters of atoms: 0
13. Determine the number of stereocenters of chemical bonds: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None yet
Storage method
This product should be sealed with argon gas4Store dry at ℃.
Synthesis method
None yet
Purpose
For biochemical research.
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