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

• ChemBase ID: 196358
• Molecular Formular: C11H10N2O4
• Molecular Mass: 234.2081
• Monoisotopic Mass: 234.06405681
• SMILES: c1(c2c(oc(=O)c1)cc(cc2)O)CC(=O)NN
• Canonical SMILES: NNC(=O)Cc1cc(=O)oc2c1ccc(c2)O
• InChI: InChI=1S/C11H10N2O4/c12-13-10(15)3-6-4-11(16)17-9-5-7(14)1-2-8(6)9/h1-2,4-5,14H,3,12H2,(H,13,15)
• InChIKey: KWLDTBYBGCSLDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164252268
• PubChem CID: 5417103

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• Acid pKa: 7.7611027
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.20403388
• LogD (pH = 7.4): -0.35570848
• Log P: -0.1999025
• Molar Refractivity: 60.3842 cm^3
• Polarizability: 22.68348 Å^3
• Polar Surface Area: 101.65 Å^2
• Rotatable Bonds: 2

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds