Cas no 77903-96-9 (3-(2-hydroxyethyl)-1H-Indole-2-carboxylic acid)

3-(2-hydroxyethyl)-1H-Indole-2-carboxylic acid structure
77903-96-9 structure
Product Name:3-(2-hydroxyethyl)-1H-Indole-2-carboxylic acid
CAS No:77903-96-9
MF:C11H11NO3
MW:205.209943056107
CID:551023
PubChem ID:16641017
Update Time:2025-04-19

3-(2-hydroxyethyl)-1H-Indole-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 3-(2-hydroxyethyl)-1H-Indole-2-carboxylic acid
    • 1H-Indole-2-carboxylicacid, 3-(2-hydroxyethyl)-
    • LogP
    • CHEMBL24757
    • 3-(2-Hydroxyethyl)-1H-indole-2-carboxylicacid
    • 77903-96-9
    • SCHEMBL5955774
    • 3-(2-Hydroxy ethyl)-1H-indole-2-carboxylic acid
    • HLPQCBDJFGTCJM-UHFFFAOYSA-N
    • AKOS005068001
    • DTXSID00586359
    • AC-12242
    • Inchi: 1S/C11H11NO3/c13-6-5-8-7-3-1-2-4-9(7)12-10(8)11(14)15/h1-4,12-13H,5-6H2,(H,14,15)
    • InChI Key: HLPQCBDJFGTCJM-UHFFFAOYSA-N
    • SMILES: OCCC1=C(C(=O)O)NC2C=CC=CC1=2

Computed Properties

  • Exact Mass: 205.074
  • Monoisotopic Mass: 205.074
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 244
  • 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
  • Topological Polar Surface Area: 73.3A^2
  • XLogP3: 1.5

Experimental Properties

  • Density: 1.418
  • Boiling Point: 478.992°C at 760 mmHg
  • Flash Point: 243.486°C
  • Refractive Index: 1.71
  • PSA: 73.32000
  • LogP: 1.40090
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