Cas no 208117-25-3 (2H-Isoindole-2-carboxylic acid, methyl ester)

2H-Isoindole-2-carboxylic  acid,  methyl  ester structure
208117-25-3 structure
Product Name:2H-Isoindole-2-carboxylic acid, methyl ester
CAS No:208117-25-3
MF:C10H9NO2
MW:175.183962583542
CID:910582
PubChem ID:15866181
Update Time:2025-04-19

2H-Isoindole-2-carboxylic acid, methyl ester Chemical and Physical Properties

Names and Identifiers

    • 2H-Isoindole-2-carboxylic acid, methyl ester
    • methyl isoindole-2-carboxylate
    • 2H-ISOINDOLE-2-CARBOXYLIC ACID,METHYL ESTER
    • Methyl 2H-isoindole-2-carboxylate
    • 208117-25-3
    • DTXSID70578983
    • N-(methoxycarbonyl) isoindole
    • Methyl2H-isoindole-2-carboxylate
    • Inchi: 1S/C10H9NO2/c1-13-10(12)11-6-8-4-2-3-5-9(8)7-11/h2-7H,1H3
    • InChI Key: JMPABLJNOFZFFQ-UHFFFAOYSA-N
    • SMILES: O(C)C(N1C=C2C=CC=CC2=C1)=O

Computed Properties

  • Exact Mass: 175.06337
  • Monoisotopic Mass: 175.063328530g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 191
  • 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: 2.2
  • Topological Polar Surface Area: 31.2?2

Experimental Properties

  • PSA: 31.23
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