2-hydroxybenzoic acid sodium hydride

• ChemBase ID: 312761
• Molecular Formular: C7H6NaO3
• Molecular Mass: 161.11051
• Monoisotopic Mass: 161.02146333
• SMILES: C(=O)(c1c(cccc1)O)O.[Na]
• Canonical SMILES: OC(=O)c1ccccc1O.[Na]
• InChI: InChI=1S/C7H6O3.Na/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H,(H,9,10)
• InChIKey: REWPEPFZCALMJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxybenzoic acid sodium hydride
• IUPAC Traditional name: salicylic sodium hydride
• Synonyms: Sodium salicylate

Database IDs

• CAS Number: 54-21-7

CALCULATED PROPERTIES

• Acid pKa: 2.7897391
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.6725287
• LogD (pH = 7.4): -1.5175761
• Log P: 1.9772635
• Molar Refractivity: 35.2951 cm^3
• Polarizability: 13.298781 Å^3
• Polar Surface Area: 57.53 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Target: Others

Product Information

• Salt Data: Salicylate