Gabaculine
CAS Registry Number®
59556-29-5
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CAS Name
GabaculineMolecular Formula
C7H9NO2Molecular Mass
139.15Cite this Page
Gabaculine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=59556-29-5 (retrieved ) (CAS RN: 59556-29-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C7H9NO2/c8-6-3-1-2-5(4-6)7(9)10/h1-3,6H,4,8H2,(H,9,10)/t6-/m1/s1
InChIKey
InChIKey=KFNRJXCQEJIBER-ZCFIWIBFSA-N
SMILES
C(O)(=O)C=1C[C@H](N)C=CC1
Canonical SMILES
O=C(O)C1=CC=CC(N)C1
Other Names for this Substance
- 1,3-Cyclohexadiene-1-carboxylic acid, 5-amino-, (5S)-
- 1,3-Cyclohexadiene-1-carboxylic acid, 5-amino-, (S)-
- (5S)-5-Amino-1,3-cyclohexadiene-1-carboxylic acid
- Gabaculine
- (S)-5-Aminocyclohexa-1,3-dienecarboxylic acid
