(2S,3aR,7aS)-Octahydro-1H-indole-2-carboxylic acid

CAS Registry Number®

145438-94-4
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CAS Name

(2S,3aR,7aS)-Octahydro-1H-indole-2-carboxylic acid

Molecular Formula

C9H15NO2

Molecular Mass

169.22

Cite this Page

(2S,3aR,7aS)-Octahydro-1H-indole-2-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=145438-94-4 (retrieved 2024-04-27) (CAS RN: 145438-94-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    211-212 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H15NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h6-8,10H,1-5H2,(H,11,12)/t6-,7+,8+/m1/s1

InChIKey

InChIKey=CQYBNXGHMBNGCG-CSMHCCOUSA-N

SMILES

C(O)(=O)[C@@H]1C[C@@]2([C@@](N1)(CCCC2)[H])[H]

Canonical SMILES

O=C(O)C1NC2CCCCC2C1

Other Names for this Substance

  • 1H-Indole-2-carboxylic acid, octahydro-, (2S,3aR,7aS)-
  • 1H-Indole-2-carboxylic acid, octahydro-, [2S-(2α,3aα,7aβ)]-
  • (2S,3aR,7aS)-Octahydro-1H-indole-2-carboxylic acid
  • (2S,3AR,7aS)-octahydroindole-2-carboxylic acid

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