Cas no 136382-33-7 (1H-Indole-1,2-dicarboxylic acid, 1-(1,1-dimethylethyl) ester)

1H-Indole-1,2-dicarboxylic acid, 1-(1,1-dimethylethyl) ester structure
136382-33-7 structure
Product Name:1H-Indole-1,2-dicarboxylic acid, 1-(1,1-dimethylethyl) ester
CAS No:136382-33-7
MF:C14H15NO4
MW:261.273204088211
MDL:MFCD14582941
CID:1239462
PubChem ID:21998725
Update Time:2025-04-20

1H-Indole-1,2-dicarboxylic acid, 1-(1,1-dimethylethyl) ester Chemical and Physical Properties

Names and Identifiers

    • 1H-Indole-1,2-dicarboxylic acid, 1-(1,1-dimethylethyl) ester
    • 1-(tert-Butoxycarbonyl)-1H-indole-2-carboxylic acid
    • 1-[(2-methylpropan-2-yl)oxycarbonyl]indole-2-carboxylic acid
    • AKOS024258826
    • CS-0311594
    • 136382-33-7
    • SCHEMBL7902953
    • 1-[(tert-butoxy)carbonyl]-1H-indole-2-carboxylic acid
    • 1-(t-Butoxycarbonyl)indole-2-carboxylic acid
    • 1-tert Butyloxycarbonylindole-2-carboxylic acid
    • YIKFVXUBTZRUHZ-UHFFFAOYSA-N
    • MDL: MFCD14582941
    • Inchi: 1S/C14H15NO4/c1-14(2,3)19-13(18)15-10-7-5-4-6-9(10)8-11(15)12(16)17/h4-8H,1-3H3,(H,16,17)
    • InChI Key: YIKFVXUBTZRUHZ-UHFFFAOYSA-N
    • SMILES: O(C(N1C(C(=O)O)=CC2C=CC=CC1=2)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 260.09232
  • Monoisotopic Mass: 261.10010796g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 374
  • 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: 3.3
  • Topological Polar Surface Area: 68.5?2

Experimental Properties

  • PSA: 71.36

1H-Indole-1,2-dicarboxylic acid, 1-(1,1-dimethylethyl) ester Pricemore >>

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