2,5-dihydroxybenzohydrazide

• ChemBase ID: 27125
• Molecular Formular: C7H8N2O3
• Molecular Mass: 168.15002
• Monoisotopic Mass: 168.05349213
• SMILES: c1(C(=O)NN)c(ccc(c1)O)O
• Canonical SMILES: NNC(=O)c1cc(O)ccc1O
• InChI: InChI=1S/C7H8N2O3/c8-9-7(12)5-3-4(10)1-2-6(5)11/h1-3,10-11H,8H2,(H,9,12)
• InChIKey: BLXGSJAZCDGAEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dihydroxybenzohydrazide
• IUPAC Traditional name: 2,5-dihydroxybenzohydrazide
• Synonyms: 2,5-Dihydroxybenzohydrazide

Database IDs

• CAS Number: 15791-90-9
• MDL Number: MFCD01921944
• PubChem SID: 160990432
• PubChem CID: 349955

CALCULATED PROPERTIES

• Acid pKa: 8.506227
• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): 0.56948406
• LogD (pH = 7.4): 0.5377403
• Log P: 0.5702798
• Molar Refractivity: 43.5823 cm^3
• Polarizability: 15.870741 Å^3
• Polar Surface Area: 95.58 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false