Cas no 55970-07-5 (1H-Benz[g]indole-2-carboxylic acid, methyl ester)

1H-Benz[g]indole-2-carboxylic acid, methyl ester structure
55970-07-5 structure
Product Name:1H-Benz[g]indole-2-carboxylic acid, methyl ester
CAS No:55970-07-5
MF:C14H11NO2
MW:225.242643594742
CID:350192
PubChem ID:12505807
Update Time:2025-04-19

1H-Benz[g]indole-2-carboxylic acid, methyl ester Chemical and Physical Properties

Names and Identifiers

    • 1H-Benz[g]indole-2-carboxylic acid, methyl ester
    • methyl 1H-benzo[g]indole-2-carboxylate
    • DTXSID00500696
    • SCHEMBL8985899
    • 55970-07-5
    • Inchi: 1S/C14H11NO2/c1-17-14(16)12-8-10-7-6-9-4-2-3-5-11(9)13(10)15-12/h2-8,15H,1H3
    • InChI Key: NFLXKEHVYVOZAZ-UHFFFAOYSA-N
    • SMILES: O(C)C(C1=CC2C=CC3C=CC=CC=3C=2N1)=O

Computed Properties

  • Exact Mass: 225.07903
  • Monoisotopic Mass: 225.078978594g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 305
  • 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: 3.7
  • Topological Polar Surface Area: 42.1?2

Experimental Properties

  • PSA: 42.09
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