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Structure

(2S,3AR,7AS)-(2-ALPHA-,3A-ALPHA-,7A-ALPHA)-2,3,3A,4,5,7A-HEXAHYDRO-1H-INDOLE-2-CARBOXYLIC ACID

CAS
89105-40-8
Catalog Number
ACM89105408
Category
Other Products
Molecular Weight
167.21
Molecular Formula
C9H13NO2

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Specification

Synonyms
(2S,3AR,7AS)-(2-ALPHA-,3A-ALPHA-,7A-ALPHA)-2,3,3A,4,5,7A-HEXAHYDRO-1H-INDOLE-2-CARBOXYLIC ACID;1H-Indole-2-carboxylicacid,2,3,3a,4,5,7a-hexahydro-,[2S-(2-alpha-,3a-alpha-,7a-alpha-)]-(9CI)
IUPAC Name
(2S,3aR,7aS)-2,3,3a,4,5,7a-hexahydro-1H-indole-2-carboxylic acid
Canonical SMILES
C1CC2CC(NC2C=C1)C(=O)O
InChI Key
ZYJLQIFSQDFEQU-PRJMDXOYSA-N
Exact Mass
167.09500
H-Bond Acceptor
3
H-Bond Donor
2
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