2-hydroxybenzene-1-carbohydrazonic acid

• ChemBase ID: 104607
• Molecular Formular: C7H8N2O2
• Molecular Mass: 152.15062
• Monoisotopic Mass: 152.05857751
• SMILES: N/N=C(\O)/c1ccccc1O
• Canonical SMILES: N/N=C(/c1ccccc1O)\O
• InChI: InChI=1S/C7H8N2O2/c8-9-7(11)5-3-1-2-4-6(5)10/h1-4,10H,8H2,(H,9,11)
• InChIKey: XSXYESVZDBAKKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxybenzene-1-carbohydrazonic acid
• IUPAC Traditional name: 2-hydroxybenzenecarbohydrazonic acid
• Synonyms: SALICYLOYL HYDRAZIDE

Database IDs

• CAS Number: 936-02-7
• PubChem SID: 162091610
• PubChem CID: 13637

CALCULATED PROPERTIES

• Acid pKa: 8.100278
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 1.6921493
• LogD (pH = 7.4): 1.6147732
• Log P: 1.6934493
• Molar Refractivity: 42.1231 cm^3
• Polarizability: 15.365792 Å^3
• Polar Surface Area: 78.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 02156578

(Salicyl hydrazide)
Crystalline