4,5,6,7-Tetrahydro-3,6,6-trimethyl-4-oxo-1H-indole-2-carboxylic acid

CAS Registry Number®

129689-88-9

CAS Name

4,5,6,7-Tetrahydro-3,6,6-trimethyl-4-oxo-1H-indole-2-carboxylic acid

Molecular Formula

C12H15NO3

Molecular Mass

221.25

Cite this Page

4,5,6,7-Tetrahydro-3,6,6-trimethyl-4-oxo-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=129689-88-9 (retrieved 2024-11-24) (CAS RN: 129689-88-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H15NO3/c1-6-9-7(13-10(6)11(15)16)4-12(2,3)5-8(9)14/h13H,4-5H2,1-3H3,(H,15,16)

InChIKey

InChIKey=CJGCOACZBXRIAE-UHFFFAOYSA-N

SMILES

CC=1C2=C(NC1C(O)=O)CC(C)(C)CC2=O

Canonical SMILES

O=C(O)C=1NC2=C(C(=O)CC(C)(C)C2)C1C

Other Names for this Substance

  • 1H-Indole-2-carboxylic acid, 4,5,6,7-tetrahydro-3,6,6-trimethyl-4-oxo-
  • 2-Indolecarboxylic acid, 4,5,6,7-tetrahydro-4-keto-3,6,6-trimethyl-
  • 4,5,6,7-Tetrahydro-3,6,6-trimethyl-4-oxo-1H-indole-2-carboxylic acid
  • 3,6,6-Trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid

CAS INSIGHTSTM
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