5-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-2-hydroxybenzoic acid

• ChemBase ID: 310684
• Molecular Formular: C15H9NO5
• Molecular Mass: 283.23566
• Monoisotopic Mass: 283.04807239
• SMILES: N1(C(=O)c2c(C1=O)cccc2)c1cc(C(=O)O)c(cc1)O
• Canonical SMILES: OC(=O)c1cc(ccc1O)N1C(=O)c2c(C1=O)cccc2
• InChI: InChI=1S/C15H9NO5/c17-12-6-5-8(7-11(12)15(20)21)16-13(18)9-3-1-2-4-10(9)14(16)19/h1-7,17H,(H,20,21)
• InChIKey: WLZMRSKNPJOACF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-2-hydroxybenzoic acid
• IUPAC Traditional name: 5-(1,3-dioxoisoindol-2-yl)-2-hydroxybenzoic acid
• Synonyms: 5-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-hydroxybenzoic acid

Database IDs

• CAS Number: 168903-55-7
• MDL Number: MFCD00419327

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.2424474
• LogD (pH = 7.4): -0.92848873
• Log P: 2.579075
• Molar Refractivity: 73.2262 cm^3
• Polarizability: 27.098227 Å^3
• Polar Surface Area: 94.91 Å^2