2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]propanehydrazide

• ChemBase ID: 233753
• Molecular Formular: C13H14N2O4
• Molecular Mass: 262.26126
• Monoisotopic Mass: 262.09535694
• SMILES: c12oc(=O)cc(c1ccc(c2)OC(C(=O)NN)C)C
• Canonical SMILES: NNC(=O)C(Oc1ccc2c(c1)oc(=O)cc2C)C
• InChI: InChI=1S/C13H14N2O4/c1-7-5-12(16)19-11-6-9(3-4-10(7)11)18-8(2)13(17)15-14/h3-6,8H,14H2,1-2H3,(H,15,17)
• InChIKey: WSJJLOWBIZJERK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]propanehydrazide
• IUPAC Traditional name: 2-[(4-methyl-2-oxochromen-7-yl)oxy]propanehydrazide
• Synonyms: 2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]propanohydrazide

Database IDs

• MDL Number: MFCD05263203
• PubChem SID: 164289663
• PubChem CID: 3678005

CALCULATED PROPERTIES

• Acid pKa: 11.7454815
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.86701417
• LogD (pH = 7.4): 0.86837685
• Log P: 0.8684122
• Molar Refractivity: 69.1786 cm^3
• Polarizability: 26.412159 Å^3
• Polar Surface Area: 90.65 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.702

Product Information

• Purity: 95%