3-(2-methoxyacetamido)benzoic acid

• ChemBase ID: 312052
• Molecular Formular: C10H11NO4
• Molecular Mass: 209.19864
• Monoisotopic Mass: 209.06880784
• SMILES: C(=O)(c1cc(NC(=O)COC)ccc1)O
• Canonical SMILES: COCC(=O)Nc1cccc(c1)C(=O)O
• InChI: InChI=1S/C10H11NO4/c1-15-6-9(12)11-8-4-2-3-7(5-8)10(13)14/h2-5H,6H2,1H3,(H,11,12)(H,13,14)
• InChIKey: XSGXNDNGNUTXRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methoxyacetamido)benzoic acid
• IUPAC Traditional name: 3-(2-methoxyacetamido)benzoic acid
• Synonyms: 3-[(methoxyacetyl)amino]benzoic acid

Database IDs

• CAS Number: 889940-48-1
• MDL Number: MFCD08443616

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.8928843
• LogD (pH = 7.4): -2.5092082
• Log P: 0.69441754
• Molar Refractivity: 54.6306 cm^3
• Polarizability: 20.139717 Å^3
• Polar Surface Area: 75.63 Å^2