This record is deprecated and may be removed soon.
Please login to be able to add spectra, identifiers, links and publications.
  • Comments
  • Image
  • Spectrum
  • CIF
  • Description
  • Add:
Inherent Properties, Identifiers and References
ChemSpider ID: 13858172
Empirical Formula: C7H7NO3
Molecular Weight: 153.1354
Nominal Mass: 153 Da
Average Mass: 153.1354 Da
Monoisotopic Mass: 153.042593 Da
Systematic Name: 2-amino-3-hydroxy-benzoic acid
SMILES: Nc1c(cccc1O)C(O)=O
InChI:
InChIKey: -
Std. InChI:
Std. InChIKey: -
(Details...) Predicted Properties
LogP: ACD/LogP: 1.06
# of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): ACD/LogD (pH 7.4):
ACD/BCF (pH 5.5): 1 ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 5.38 ACD/KOC (pH 7.4): 1
#H bond acceptors: 4 #H bond donors: 4
#Freely Rotating Bonds: 3 Polar Surface Area: 83.55 Å2
Index of Refraction: 1.691 Molar Refractivity: 39.3 cm3
Molar Volume: 102.6 cm3 Polarizability: 15.57 10-24cm3
Surface Tension: 83.3 dyne/cm Density: 1.491 g/cm3
Flash Point: 169.6 °C Enthalpy of Vaporization: 63.54 kJ/mol
Boiling Point: 356.8 °C at 760 mmHg Vapour Pressure: 1.03E-05 mmHg at 25°C