(2E)-2-(N-hydroxyimino)-N-(2-oxo-2H-chromen-6-yl)acetamide

• ChemBase ID: 186542
• Molecular Formular: C11H8N2O4
• Molecular Mass: 232.19222
• Monoisotopic Mass: 232.04840675
• SMILES: o1c(=O)ccc2c1ccc(NC(=O)/C=N/O)c2
• Canonical SMILES: O/N=C/C(=O)Nc1ccc2c(c1)ccc(=O)o2
• InChI: InChI=1S/C11H8N2O4/c14-10(6-12-16)13-8-2-3-9-7(5-8)1-4-11(15)17-9/h1-6,16H,(H,13,14)/b12-6+
• InChIKey: CTHHPPPYRKAUOF-WUXMJOGZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2E)-2-(N-hydroxyimino)-N-(2-oxo-2H-chromen-6-yl)acetamide
• IUPAC Traditional name: (2E)-2-(N-hydroxyimino)-N-(2-oxochromen-6-yl)acetamide

Database IDs

• PubChem SID: 164242452
• PubChem CID: 6876057

CALCULATED PROPERTIES

• Acid pKa: 5.630006
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.88069314
• LogD (pH = 7.4): -0.56104654
• Log P: 1.1202204
• Molar Refractivity: 61.0896 cm^3
• Polarizability: 22.072744 Å^3
• Polar Surface Area: 87.99 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds