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

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CAS
80875-98-5
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Catalog Number

ACM80875985

Product Name

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

Structure

CAS

80875-98-5

Category

Indoles

Synonyms

1H-Indole-2-carboxylic acid, octahydro-, (2S,3aS,7aS)-; SC-16113; CQYBNXGHMBNGCG-FXQIFTODSA-N; TL8005423; ACT02571; RTR-025502; (2S,3aS,7aS)-Octahydro-1H-indolium-2-carboxylate; I14-8461; AC1OLREW; A840000;

IUPAC Name

(2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylic acid;

Molecular Weight

169.224g/mol

Molecular Formula

C9H15NO2;

Canonical SMILES

C1CCC2C(C1)CC(N2)C(=O)O;

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;

InChI Key

CQYBNXGHMBNGCG-FXQIFTODSA-N;

Application

An intermediate in the synthesis of Perindopril

Storage

Store at 0°C

Complexity

193

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

EC Number

617-180-7

Exact Mass

169.11g/mol

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

Monoisotopic Mass

169.11g/mol

Rotatable Bond Count

Topological Polar Surface Area

49.3A^2

UNII

9ID44U804I

MSDS

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COA

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Spec Sheet

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