N-hydroxy-2,4,5-trimethoxybenzamide

• ChemBase ID: 268508
• Molecular Formular: C10H13NO5
• Molecular Mass: 227.21392
• Monoisotopic Mass: 227.07937252
• SMILES: c1(c(cc(c(c1)OC)OC)OC)C(=O)NO
• Canonical SMILES: COc1cc(C(=O)NO)c(cc1OC)OC
• InChI: InChI=1S/C10H13NO5/c1-14-7-5-9(16-3)8(15-2)4-6(7)10(12)11-13/h4-5,13H,1-3H3,(H,11,12)
• InChIKey: GKQDEBVCTQMTGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-hydroxy-2,4,5-trimethoxybenzamide
• IUPAC Traditional name: N-hydroxy-2,4,5-trimethoxybenzamide
• Synonyms: N-hydroxy-2,4,5-trimethoxybenzamide

Database IDs

• MDL Number: MFCD10691790
• PubChem SID: 164324418
• PubChem CID: 33784644

CALCULATED PROPERTIES

• Acid pKa: 9.286638
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.34762123
• LogD (pH = 7.4): 0.34221855
• Log P: 0.34769058
• Molar Refractivity: 56.2906 cm^3
• Polarizability: 21.451408 Å^3
• Polar Surface Area: 77.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 187 - 189°C
• Hydrophobicity(logP): 0.02

Product Information

• Purity: 95%