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Structure

1H-Indole-3-aceticacid,2,3-dihydro-2-oxo-

CAS
2971-31-5
Catalog Number
ACM2971315
Category
Other Products
Molecular Weight
191.19
Molecular Formula
C10H9NO3

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Specification

Synonyms
2-oxoindole-3-acetic acid; oxindole-3-acetic acid; 2-oxindole-3acetic acid; 1H-Indole-3-acetic acid,2,3-dihydro-2-oxo; 2-oxindol-3-yl-acetic acid;
IUPAC Name
2-(2-oxo-1,3-dihydroindol-3-yl)acetic acid
Canonical SMILES
C1=CC=C2C(=C1)C(C(=O)N2)CC(=O)O
InChI Key
ILGMGHZPXRDCCS-UHFFFAOYSA-N
Boiling Point
445.2ºC at 760 mmHg
Flash Point
223ºC
Density
1.334g/cm³
Exact Mass
191.05800
H-Bond Acceptor
3
H-Bond Donor
2

Upstream Synthesis Route 1

  • 65112-89-2
  • 2971-31-5

Reference: [1]Julian; Printy
[Journal of the American Chemical Society, 1953, vol. 75, p. 5301,5303]

Upstream Synthesis Route 2

  • 51206-73-6
  • 2971-31-5

Reference: [1]Phillips; Cohen
[Journal of the American Chemical Society, 1986, vol. 108, # 8, p. 2023 - 2030]

Upstream Synthesis Route 3

  • 87-51-4
  • 2971-31-5

Reference: [1]Shelar, Santosh V.; Argade, Narshinha P.
[Organic and Biomolecular Chemistry, 2019, vol. 17, # 27, p. 6671 - 6677]

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