Salicylsalicylic acid

Compound Structure

CAS Number: 552-94-3

Molecular Mass: 258.23 g/mol

Formula: C14H10O5

Smiles: O=C(Oc1ccccc1C(=O)O)c1ccccc1O

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
1,4-Dioxane 324.45 - 1044.0 [24]
1,4-Dioxane 326.55 - 1068.0 [24]
1,4-Dioxane 330.35 - 1119.0 [24]
1,4-Dioxane 332.55 - 1149.0 [24]
1,4-Dioxane 334.95 - 1186.0 [24]
1,4-Dioxane 337.35 - 1223.0 [24]
Toluene 327.75 - 38.0 [24]
Toluene 329.25 - 40.4 [24]
Toluene 333.45 - 45.0 [24]
Toluene 335.25 - 49.7 [24]
Toluene 335.95 - 52.1 [24]

Molecule 3D descriptors

Descriptor Value
PMI1 625.8319
PMI2 2061.0245
PMI3 2415.8872
NPR1 0.2590
NPR2 0.8531
RadiusOfGyration 3.1433
InertialShapeFactor 0.0014
Eccentricity 0.9659
Asphericity 0.4140
SpherocityIndex 0.1408
PBF 0.6637