2-[4-(furan-2-amido)phenoxy]acetic acid

• ChemBase ID: 310579
• Molecular Formular: C13H11NO5
• Molecular Mass: 261.23014
• Monoisotopic Mass: 261.06372246
• SMILES: C(=O)(c1occc1)Nc1ccc(OCC(=O)O)cc1
• Canonical SMILES: OC(=O)COc1ccc(cc1)NC(=O)c1ccco1
• InChI: InChI=1S/C13H11NO5/c15-12(16)8-19-10-5-3-9(4-6-10)14-13(17)11-2-1-7-18-11/h1-7H,8H2,(H,14,17)(H,15,16)
• InChIKey: DTOMBNXXWIJNMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(furan-2-amido)phenoxy]acetic acid
• IUPAC Traditional name: 4-(furan-2-amido)phenoxyacetic acid
• Synonyms: [4-(2-furoylamino)phenoxy]acetic acid

Database IDs

• CAS Number: 312748-79-1
• MDL Number: MFCD00429695

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.95160556
• LogD (pH = 7.4): -2.0198436
• Log P: 1.4456893
• Molar Refractivity: 66.5302 cm^3
• Polarizability: 24.77889 Å^3
• Polar Surface Area: 88.77 Å^2