5-(1,1-Dimethylethyl)-1H-indole-2-carboxylic acid

CAS Registry Number®

194490-19-2
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CAS Name

5-(1,1-Dimethylethyl)-1H-indole-2-carboxylic acid

Molecular Formula

C13H15NO2

Molecular Mass

217.26

Cite this Page

5-(1,1-Dimethylethyl)-1H-indole-2-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=194490-19-2 (retrieved 2024-08-16) (CAS RN: 194490-19-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    220 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H15NO2/c1-13(2,3)9-4-5-10-8(6-9)7-11(14-10)12(15)16/h4-7,14H,1-3H3,(H,15,16)

InChIKey

InChIKey=FDPUFZBJUZPCRB-UHFFFAOYSA-N

SMILES

C(C)(C)(C)C=1C=C2C(NC(C(O)=O)=C2)=CC1

Canonical SMILES

O=C(O)C1=CC=2C=C(C=CC2N1)C(C)(C)C

Other Names for this Substance

  • 1H-Indole-2-carboxylic acid, 5-(1,1-dimethylethyl)-
  • 5-(1,1-Dimethylethyl)-1H-indole-2-carboxylic acid