2-oxo-2-(2-phenylindolizin-3-yl)acetic acid

• ChemBase ID: 312153
• Molecular Formular: C16H11NO3
• Molecular Mass: 265.26344
• Monoisotopic Mass: 265.07389322
• SMILES: c1(c(cc2n1cccc2)c1ccccc1)C(=O)C(=O)O
• Canonical SMILES: OC(=O)C(=O)c1c(cc2n1cccc2)c1ccccc1
• InChI: InChI=1S/C16H11NO3/c18-15(16(19)20)14-13(11-6-2-1-3-7-11)10-12-8-4-5-9-17(12)14/h1-10H,(H,19,20)
• InChIKey: UWWMXLAAHUBULN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-oxo-2-(2-phenylindolizin-3-yl)acetic acid
• IUPAC Traditional name: oxo(2-phenylindolizin-3-yl)acetic acid
• Synonyms: oxo(2-phenyl-3-indolizinyl)acetic acid

Database IDs

• CAS Number: 892691-05-3
• MDL Number: MFCD08677451

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.5483723
• LogD (pH = 7.4): -0.7233331
• Log P: 2.694228
• Molar Refractivity: 75.3521 cm^3
• Polarizability: 30.06399 Å^3
• Polar Surface Area: 58.78 Å^2