Cas no 113201-27-7 (2-[(3,4-dimethylphenyl)methoxy]isoindole-1,3-dione)

2-[(3,4-dimethylphenyl)methoxy]isoindole-1,3-dione structure
113201-27-7 structure
Product Name:2-[(3,4-dimethylphenyl)methoxy]isoindole-1,3-dione
CAS No:113201-27-7
MF:C17H15NO3
MW:281.305904626846
CID:2610176
PubChem ID:71337043
Update Time:2025-04-21

2-[(3,4-dimethylphenyl)methoxy]isoindole-1,3-dione Chemical and Physical Properties

Names and Identifiers

    • 2-[(3,4-dimethylphenyl)methoxy]isoindole-1,3-dione
    • 113201-27-7
    • 2-[(3,4-Dimethylphenyl)methoxy]-1H-isoindole-1,3(2H)-dione
    • DTXSID20764793
    • Inchi: 1S/C17H15NO3/c1-11-7-8-13(9-12(11)2)10-21-18-16(19)14-5-3-4-6-15(14)17(18)20/h3-9H,10H2,1-2H3
    • InChI Key: HRNOSNVSLSSUGX-UHFFFAOYSA-N
    • SMILES: O(CC1C=CC(C)=C(C)C=1)N1C(C2C=CC=CC=2C1=O)=O

Computed Properties

  • Exact Mass: 281.10519334Da
  • Monoisotopic Mass: 281.10519334Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 3
  • Complexity: 398
  • 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: 3.2
  • Topological Polar Surface Area: 46.6?2
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