[1-(2-nitrophenyl)cyclopropyl]methanol

• ChemBase ID: 806845
• Molecular Formular: C10H11NO3
• Molecular Mass: 193.19924
• Monoisotopic Mass: 193.07389322
• SMILES: C(O)C1(CC1)c1c(cccc1)[N+](=O)[O-]
• Canonical SMILES: OCC1(CC1)c1ccccc1[N+](=O)[O-]
• InChI: InChI=1S/C10H11NO3/c12-7-10(5-6-10)8-3-1-2-4-9(8)11(13)14/h1-4,12H,5-7H2
• InChIKey: HLGRCBKLOYIOPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(2-nitrophenyl)cyclopropyl]methanol
• IUPAC Traditional name: [1-(2-nitrophenyl)cyclopropyl]methanol
• Synonyms: [1-(2-NITRO-PHENYL)-CYCLOPROPYL]-METHANOL

CALCULATED PROPERTIES

• Acid pKa: 14.829041
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7137892
• LogD (pH = 7.4): 1.7137892
• Log P: 1.7137892
• Molar Refractivity: 51.0169 cm^3
• Polarizability: 19.39384 Å^3
• Polar Surface Area: 63.37 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%