2-(7-hydroxy-2-oxo-2H-chromen-4-yl)acetamide

• ChemBase ID: 312085
• Molecular Formular: C11H9NO4
• Molecular Mass: 219.19346
• Monoisotopic Mass: 219.05315777
• SMILES: c1(c2c(oc(=O)c1)cc(cc2)O)CC(=O)N
• Canonical SMILES: NC(=O)Cc1cc(=O)oc2c1ccc(c2)O
• InChI: InChI=1S/C11H9NO4/c12-10(14)3-6-4-11(15)16-9-5-7(13)1-2-8(6)9/h1-2,4-5,13H,3H2,(H2,12,14)
• InChIKey: YXBOCMCJTKIUAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(7-hydroxy-2-oxo-2H-chromen-4-yl)acetamide
• IUPAC Traditional name: 2-(7-hydroxy-2-oxochromen-4-yl)acetamide
• Synonyms: 2-(7-hydroxy-2-oxo-2H-chromen-4-yl)acetamide

Database IDs

• CAS Number: 101999-45-5
• MDL Number: MFCD06001840

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.09421532
• LogD (pH = 7.4): -0.059143916
• Log P: 0.09657318
• Molar Refractivity: 55.9001 cm^3
• Polarizability: 21.24917 Å^3
• Polar Surface Area: 89.62 Å^2