5-amino-2-ethoxybenzoic acid

• ChemBase ID: 308073
• Molecular Formular: C9H11NO3
• Molecular Mass: 181.18854
• Monoisotopic Mass: 181.07389322
• SMILES: c1(C(=O)O)c(ccc(c1)N)OCC
• Canonical SMILES: CCOc1ccc(cc1C(=O)O)N
• InChI: InChI=1S/C9H11NO3/c1-2-13-8-4-3-6(10)5-7(8)9(11)12/h3-5H,2,10H2,1H3,(H,11,12)
• InChIKey: KKAGCLHBZFYBOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-amino-2-ethoxybenzoic acid
• IUPAC Traditional name: 5-amino-2-ethoxybenzoic acid
• Synonyms: 5-amino-2-ethoxybenzoic acid

Database IDs

• CAS Number: 106262-38-8
• MDL Number: MFCD10686563

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.2838852
• LogD (pH = 7.4): -1.7563614
• Log P: -0.076920524
• Molar Refractivity: 49.2264 cm^3
• Polarizability: 18.185469 Å^3
• Polar Surface Area: 72.55 Å^2