azido(methoxy)methanone

• ChemBase ID: 247797
• Molecular Formular: C2H3N3O2
• Molecular Mass: 101.06412
• Monoisotopic Mass: 101.02252635
• SMILES: [N+](=NC(=O)OC)=[N-]
• Canonical SMILES: [N-]=[N+]=NC(=O)OC
• InChI: InChI=1S/C2H3N3O2/c1-7-2(6)4-5-3/h1H3
• InChIKey: QOHNHTHTTUJQEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: azido(methoxy)methanone
• IUPAC Traditional name: azido(methoxy)methanone
• Synonyms: azido(methoxy)methanone

Database IDs

• PubChem SID: 164303707
• PubChem CID: 12542276

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.11984177
• LogD (pH = 7.4): 0.11984177
• Log P: 0.23388742
• Molar Refractivity: 20.6466 cm^3
• Polarizability: 7.689231 Å^3
• Polar Surface Area: 55.73 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.244

Product Information

• Purity: 95%