2-(2-formylphenoxy)propanoic acid

• ChemBase ID: 311731
• Molecular Formular: C10H10O4
• Molecular Mass: 194.184
• Monoisotopic Mass: 194.0579088
• SMILES: O(c1c(C=O)cccc1)C(C(=O)O)C
• Canonical SMILES: O=Cc1ccccc1OC(C(=O)O)C
• InChI: InChI=1S/C10H10O4/c1-7(10(12)13)14-9-5-3-2-4-8(9)6-11/h2-7H,1H3,(H,12,13)
• InChIKey: UHVYCNOOAXDXHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-formylphenoxy)propanoic acid
• IUPAC Traditional name: 2-(2-formylphenoxy)propanoic acid
• Synonyms: 2-(2-formylphenoxy)propanoic acid

Database IDs

• CAS Number: 29040-34-4
• MDL Number: MFCD03990482

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.59345585
• LogD (pH = 7.4): -1.8479803
• Log P: 1.5748245
• Molar Refractivity: 49.6837 cm^3
• Polarizability: 18.986534 Å^3
• Polar Surface Area: 63.6 Å^2