4-Aminobenzoic acid

Compound Structure

CAS Number: 150-13-0

Molecular Mass: 137.14 g/mol

Formula: C7H7NO2

Smiles: Nc1ccc(C(=O)O)cc1

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
1,4-Dioxane 298.25 - 117.0 [24]
1,4-Dioxane 301.25 - 126.0 [24]
1,4-Dioxane 304.65 - 140.0 [24]
1,4-Dioxane 311.55 - 164.0 [24]
1,4-Dioxane 317.75 - 189.6 [24]
1,4-Dioxane 320.65 - 204.8 [24]
1,4-Dioxane 324.85 - 225.9 [24]
1,4-Dioxane 326.35 - 233.7 [24]

Molecule 3D descriptors

Descriptor Value
PMI1 130.9421
PMI2 641.4426
PMI3 771.8618
NPR1 0.1696
NPR2 0.8310
RadiusOfGyration 2.3728
InertialShapeFactor 0.0063
Eccentricity 0.9855
Asphericity 0.5773
SpherocityIndex 0.0031
PBF 0.0627