Cas no 53663-18-6 (2-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzoic acid)

2-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzoic acid structure
53663-18-6 structure
Product Name:2-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzoic acid
CAS No:53663-18-6
MF:C16H11NO4
MW:281.262844324112
MDL:MFCD00030289
CID:1583490
PubChem ID:3313288
Update Time:2025-04-21

2-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzoic acid Chemical and Physical Properties

Names and Identifiers

    • 2-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzoic acid
    • Benzoic acid, 2-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]-
    • 2-(1,3-Dioxo-1,3-dihydro-isoindol-2-ylmethyl)-benzoic acid
    • alpha-PhthaliMido-o-toluic acid
    • 2-((1,3-Dioxoisoindolin-2-yl)methyl)benzoicacid
    • 53663-18-6
    • 2-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]benzoic acid
    • F15108
    • 2-[(1,3-dioxoisoindol-2-yl)methyl]benzoic acid
    • CS-0498218
    • 2-((1,3-Dioxoisoindolin-2-yl)methyl)benzoic acid
    • 2-[(1,3-dioxo-isoindol-2-yl)-methyl]-benzoic acid
    • a-phthalimido-o-toluic acid
    • AC-907/25014363
    • SB65083
    • Oprea1_551093
    • DS-022037
    • 2-(phthalimidomethyl)benzoic acid
    • SCHEMBL1251436
    • AKOS002982027
    • MDL: MFCD00030289
    • Inchi: 1S/C16H11NO4/c18-14-12-7-3-4-8-13(12)15(19)17(14)9-10-5-1-2-6-11(10)16(20)21/h1-8H,9H2,(H,20,21)
    • InChI Key: SFDPOSXYUSXQRN-UHFFFAOYSA-N
    • SMILES: O=C1C2C=CC=CC=2C(N1CC1C=CC=CC=1C(=O)O)=O

Computed Properties

  • Exact Mass: 281.06883
  • Monoisotopic Mass: 281.06880783g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 3
  • Complexity: 437
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.9
  • Topological Polar Surface Area: 74.7?2

Experimental Properties

  • PSA: 74.68

2-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzoic acid Pricemore >>

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