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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