4-Hydroxybenzoic acid

Details:

1.Introduction of 99-96-7

4-Hydroxybenzoic acid is the systematic name of this kind of chemical product, and its CAS registry number is 99-96-7. Its synonyms are synonyms are 4-carboxyphenol; 4-hydroxy; 4-hydroxy-benzoicaci; acidop-idrossibenzoico; benzoic acid, p-hydroxy-; benzoicacid,4-hydroxy; benzoicacid,4-hydroxy-; hydroxybenzoic acid, para.

2.Properties of 99-96-7

ACD/LogP: 1.401
# of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): 0.31
ACD/LogD (pH 7.4): -1.35
ACD/BCF (pH 5.5): 1.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 5.5): 11.20
ACD/KOC (pH 7.4): 1.00
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
Polar Surface Area: 57.53Ų
Index of Refraction: 1.616
Molar Refractivity: 35.064 cm³
Molar Volume: 100.393 cm³
Polarizability: 13.901 10-24cm³
Surface Tension: 64.4169998168945 dyne/cm
Density: 1.376 g/cm³
Flash Point: 171.309 °C
Enthalpy of Vaporization: 61.143 kJ/mol
Boiling Point: 336.161 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C

3.Structure Descriptors of 99-96-7

(1)InChI: InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)
(2)InChIKey: FJKROLUGYXJWQN-UHFFFAOYSA-N
(3)Canonical SMILES : C1=CC(=CC=C1C(=O)O)O