(Z)-N-(phenylmethylidene)hydroxylamine

• ChemBase ID: 287502
• Molecular Formular: C7H7NO
• Molecular Mass: 121.13658
• Monoisotopic Mass: 121.05276385
• SMILES: O/N=C\c1ccccc1
• Canonical SMILES: O/N=C\c1ccccc1
• InChI: InChI=1S/C7H7NO/c9-8-6-7-4-2-1-3-5-7/h1-6,9H/b8-6-
• InChIKey: VTWKXBJHBHYJBI-VURMDHGXSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-N-(phenylmethylidene)hydroxylamine
• IUPAC Traditional name: benzaldehyde, oxime, (Z)-
• Synonyms: (Z)-Benzaldehyde oxime

Database IDs

• CAS Number: 622-32-2
• MDL Number: MFCD00063017
• PubChem SID: 180673033
• PubChem CID: 5324470

CALCULATED PROPERTIES

• Acid pKa: 8.73708
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6939479
• LogD (pH = 7.4): 1.6757065
• Log P: 1.695228
• Molar Refractivity: 36.4637 cm^3
• Polarizability: 13.57526 Å^3
• Polar Surface Area: 32.59 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%