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1H-Indole-2-carboxylic acid, octahydro-, hydrochloride (1:1), (2S,3aR,7aS)-

1H-Indole-2-carboxylic acid, octahydro-, hydrochloride (1:1), (2S,3aR,7aS)- structure

CAS No:
144540-75-0
Formula:
C9H15NO2.ClH
Chemical Name:
1H-Indole-2-carboxylic acid, octahydro-, hydrochloride (1:1), (2S,3aR,7aS)-
Synonyms:
1H-Indole-2-carboxylic acid,octahydro-,hydrochloride (1:1),(2S,3aR,7aS)-;1H-Indole-2-carboxylic acid,octahydro-,hydrochloride,[2S-(2α,3aα,7aβ)]-;1H-Indole-2-carboxylic acid,octahydro-,hydrochloride,(2S,3aR,7aS)-

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1H-Indole-2-carboxylic acid, octahydro-, hydrochloride (1:1), (2S,3aR,7aS)- Basic Attributes

Molecular Weight：

205.68200

Exact Mass：

205.0869564

EC Number：

604-421-6

DSSTox ID：

DTXSID60647571

Characteristics

PSA：

49.33000

XLogP3：

2.12250

Boiling Point：

348.5ºC

Flash Point：

164.6ºC

Vapor Pressure：

8.72E-06mmHg at 25°C

Computed Properties

Molecular Weight:205.68
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:205.0869564
Monoisotopic Mass:205.0869564
Topological Polar Surface Area:49.3
Heavy Atom Count:13
Complexity:193
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of 1H-Indole-2-carboxylic acid, octahydro-, hydrochloride (1:1), (2S,3aR,7aS)-

Basic Attributes
Characteristics
Computed Properties
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