2,7-Dimethyl-1H-indole-3-acetic acid

CAS Registry Number®

5435-41-6

CAS Name

2,7-Dimethyl-1H-indole-3-acetic acid

Molecular Formula

C12H13NO2

Molecular Mass

203.24

Cite this Page

2,7-Dimethyl-1H-indole-3-acetic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5435-41-6 (retrieved 2024-11-01) (CAS RN: 5435-41-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    164-165 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H13NO2/c1-7-4-3-5-9-10(6-11(14)15)8(2)13-12(7)9/h3-5,13H,6H2,1-2H3,(H,14,15)

InChIKey

InChIKey=JLNVPHNEFPHGPD-UHFFFAOYSA-N

SMILES

C(C(O)=O)C=1C=2C(NC1C)=C(C)C=CC2

Canonical SMILES

O=C(O)CC=1C=2C=CC=C(C2NC1C)C

Other Names for this Substance

  • 1H-Indole-3-acetic acid, 2,7-dimethyl-
  • Indole-3-acetic acid, 2,7-dimethyl-
  • 2,7-Dimethyl-1H-indole-3-acetic acid
  • 2-(2,7-Dimethyl-1H-indol-3-yl)acetic acid
  • NSC 21432

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CAS INSIGHTSTM
Adam Sanford and Orr Ravitz from CAS