CAS Registry Number®
80875-98-5
CAS Name
(2S,3AS,7aS)-Octahydroindole-2-carboxylic acid
Molecular Formula
C9H15NO2
Molecular Mass
169.22
Compound Properties
-
Melting Point (1)
267-269 °C
Source(s)
- (1) Sayago, Francisco J.; Tetrahedron, (2008), 64(1), 84-91, CAplus
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-/m0/s1
InChIKey
InChIKey=CQYBNXGHMBNGCG-FXQIFTODSA-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,3aS,7aS)-
- 1H-Indole-2-carboxylic acid, octahydro-, [2S-(2α,3aβ,7aβ)]-
- (2S,3aS,7aS)-Octahydro-1H-indole-2-carboxylic acid
- (2S,3AS,7aS)-2-carboxyoctahydroindole
- (2S,3aS,7aS)-perhydroindole-2-carboxylic acid
- (2S,3AS,7aS)-Octahydroindole-2-carboxylic acid
- (2S,3aS,7aS)-Octahydroindole-2-carboxylic acid
Deleted or Replaced CAS Registry Numbers
111821-04-6
