2-(hydroxymethyl)benzohydrazide

• ChemBase ID: 308731
• Molecular Formular: C8H10N2O2
• Molecular Mass: 166.1772
• Monoisotopic Mass: 166.07422757
• SMILES: C(=O)(c1c(CO)cccc1)NN
• Canonical SMILES: NNC(=O)c1ccccc1CO
• InChI: InChI=1S/C8H10N2O2/c9-10-8(12)7-4-2-1-3-6(7)5-11/h1-4,11H,5,9H2,(H,10,12)
• InChIKey: PYUGZJQHOZAYRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(hydroxymethyl)benzohydrazide
• IUPAC Traditional name: 2-(hydroxymethyl)benzohydrazide
• Synonyms: 2-(hydroxymethyl)benzohydrazide

Database IDs

• CAS Number: 51707-35-8
• MDL Number: MFCD00122691

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -0.24077825
• LogD (pH = 7.4): -0.23995
• Log P: -0.23993935
• Molar Refractivity: 46.4364 cm^3
• Polarizability: 17.05566 Å^3
• Polar Surface Area: 75.35 Å^2