Cas no 947412-98-8 (1H-Indole-5-carboxylic acid, 3-(hydroxymethyl)-, methyl ester)

1H-Indole-5-carboxylic acid, 3-(hydroxymethyl)-, methyl ester structure
947412-98-8 structure
Product Name:1H-Indole-5-carboxylic acid, 3-(hydroxymethyl)-, methyl ester
CAS No:947412-98-8
MF:C11H11NO3
MW:205.209943056107
MDL:MFCD15523470
CID:1012012
PubChem ID:67300394
Update Time:2025-04-20

1H-Indole-5-carboxylic acid, 3-(hydroxymethyl)-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • 1H-Indole-5-carboxylic acid, 3-(hydroxymethyl)-, methyl ester
    • 3-(HYDROXYMETHYL)-1H-INDOLE-5-CARBOXYLIC ACID METHYL ESTER
    • Methyl 3-(hydroxymethyl)-1H-indole-5-carboxylate
    • DTXSID30736805
    • SCHEMBL2161423
    • 947412-98-8
    • AOEKDLRKBOVOJA-UHFFFAOYSA-N
    • D87525
    • MDL: MFCD15523470
    • Inchi: 1S/C11H11NO3/c1-15-11(14)7-2-3-10-9(4-7)8(6-13)5-12-10/h2-5,12-13H,6H2,1H3
    • InChI Key: AOEKDLRKBOVOJA-UHFFFAOYSA-N
    • SMILES: OCC1=CNC2C=CC(C(=O)OC)=CC=21

Computed Properties

  • Exact Mass: 205.07389321g/mol
  • Monoisotopic Mass: 205.07389321g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • 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
  • XLogP3: 1
  • Topological Polar Surface Area: 62.3?2

1H-Indole-5-carboxylic acid, 3-(hydroxymethyl)-, methyl ester Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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3-(HYDROXYMETHYL)-1H-INDOLE-5-CARBOXYLIC ACID METHYL ESTER
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