Cas no 127168-92-7 (Methyl 2-benzylisoindoline-4-carboxylate)

Methyl 2-benzylisoindoline-4-carboxylate structure
127168-92-7 structure
Product Name:Methyl 2-benzylisoindoline-4-carboxylate
CAS No:127168-92-7
MF:C17H17NO2
MW:267.322384595871
CID:1036680
PubChem ID:19828480
Update Time:2025-04-20

Methyl 2-benzylisoindoline-4-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 2-benzylisoindoline-4-carboxylate
    • methyl 2-benzyl-1,3-dihydroisoindole-4-carboxylate
    • ethyl 2-benzylisoindoline-4-carboxylate
    • Methyl2-benzylisoindoline-4-carboxylate
    • J-521952
    • 127168-92-7
    • KYPYECPVZOQQQH-UHFFFAOYSA-N
    • 2-benzyl-2,3-dihydro-1H-isoindole-4-carboxylic acid methyl ester
    • SCHEMBL6093402
    • DTXSID90600391
    • SB65810
    • 2-benzyl-4-methoxycarbonylisoindoline
    • DB-370728
    • Methyl 2-benzyl-2,3-dihydro-1H-isoindole-4-carboxylate
    • Inchi: 1S/C17H17NO2/c1-20-17(19)15-9-5-8-14-11-18(12-16(14)15)10-13-6-3-2-4-7-13/h2-9H,10-12H2,1H3
    • InChI Key: KYPYECPVZOQQQH-UHFFFAOYSA-N
    • SMILES: O(C)C(C1=CC=CC2=C1CN(CC1C=CC=CC=1)C2)=O

Computed Properties

  • Exact Mass: 367.14203
  • Monoisotopic Mass: 267.125928785g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 4
  • Complexity: 338
  • 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: 2.7
  • Topological Polar Surface Area: 29.5?2

Experimental Properties

  • PSA: 76.07

Methyl 2-benzylisoindoline-4-carboxylate Pricemore >>

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