(Z)-N-[1-(2,5-dimethoxyphenyl)ethylidene]hydroxylamine

• ChemBase ID: 122884
• Molecular Formular: C10H13NO3
• Molecular Mass: 195.21512
• Monoisotopic Mass: 195.08954328
• SMILES: c1(/C(=N\O)/C)c(ccc(c1)OC)OC
• Canonical SMILES: COc1ccc(c(c1)/C(=N\O)/C)OC
• InChI: InChI=1S/C10H13NO3/c1-7(11-12)9-6-8(13-2)4-5-10(9)14-3/h4-6,12H,1-3H3/b11-7-
• InChIKey: JDEJVZRCMSXTBW-XFFZJAGNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-N-[1-(2,5-dimethoxyphenyl)ethylidene]hydroxylamine
• IUPAC Traditional name: (Z)-N-[1-(2,5-dimethoxyphenyl)ethylidene]hydroxylamine
• Synonyms: (Z)-1-(2,5-dimethoxyphenyl)ethanone oxime

Database IDs

• PubChem SID: 162217237
• PubChem CID: 42551682

CALCULATED PROPERTIES

• Acid pKa: 7.4898915
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.2205694
• LogD (pH = 7.4): 0.96810526
• Log P: 1.2250305
• Molar Refractivity: 53.2089 cm^3
• Polarizability: 20.462732 Å^3
• Polar Surface Area: 51.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true