structural formula
| business number | 03er |
|---|---|
| molecular formula | c15h12o6 |
| molecular weight | 288.25 |
| label |
5,5′-methylene disalicylic acid, 5,5’methyl disalicylic acid, 5,5′-methyl salicylic acid, timtec-bb sbb001177, 4,4′-dihydroxydiphenylmethane-3,3′-dicarboxylic acid, 5,5′-methylene disalicyclic acid, benzoic acid, 3,3-methylenebis6-hydroxy-, 5,5′-methylenedisalicylic acid, 2,2′-dihydroxy-5,5′-methylenedibenzoic acid, 3,3′-methylenebis[6-hydroxybenzoi, aromatic compounds |
numbering system
cas number:122-25-8
mdl number:mfcd00016506
einecs number:204-530-5
rtecs number:none
brn number:none
pubchem id:none
physical property data
1. melting point (℃):235-242°c
2. solubility: insoluble in water
toxicological data
none
ecological data
none
molecular structure data
5. molecular property data:
1. molar refractive index: 73.19
2. molar volume（m3/ mol）：190.7
3. isotonic ratio（90.2k）：572.6
4. surface tension（dyne/cm）：81.1
5. dielectric constant:
6. dipole moment（10 -24cm3)：
7. polarizability: 29.01
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 3.3
2. number of hydrogen bond donors: 4
3. number of hydrogen bond acceptors: 6
4. number of rotatable chemical bonds: 4
5. number of tautomers: 10
6. topological molecule polar surface area 115
7. number of heavy atoms: 21
8. surface charge: 0
9. complexity: 360
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
storage method
none
synthesis method
none
purpose
none
e: 9pt; font-family: arial; mso-font-kerning: 0pt”>dyne/cm)：81.1
5. dielectric constant:
6. dipole moment（10 -24cm3)：
7. polarizability: 29.01
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 3.3
2. number of hydrogen bond donors: 4
3. number of hydrogen bond acceptors: 6
4. number of rotatable chemical bonds: 4
5. number of tautomers: 10
6. topological molecule polar surface area 115
7. number of heavy atoms: 21
8. surface charge: 0
9. complexity: 360
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
storage method
none
synthesis method
none
purpose
none
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