1H-Indole-2-carboxylic acid, octahydro-, phenylmethyl ester, hydrochloride (1:1), (2R,3aS,7aR)-rel-
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1H-Indole-2-carboxylic acid, octahydro-, phenylmethyl ester, hydrochloride (1:1), (2R,3aS,7aR)-rel-
structure -
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CAS No:
87679-38-7
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Formula:
C16H21NO2.ClH
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Chemical Name:
1H-Indole-2-carboxylic acid, octahydro-, phenylmethyl ester, hydrochloride (1:1), (2R,3aS,7aR)-rel-
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Synonyms:
1H-Indole-2-carboxylic acid,octahydro-,phenylmethyl ester,hydrochloride (1:1),(2R,3aS,7aR)-rel-;1H-Indole-2-carboxylic acid,octahydro-,phenylmethyl ester,hydrochloride,(2α,3aα,7aβ)-(±)-;1H-Indole-2-carboxylic acid,octahydro-,phenylmethyl ester,hydrochloride,(2α,3aα,7aβ)-
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CAS No:
1H-Indole-2-carboxylic acid, octahydro-, phenylmethyl ester, hydrochloride (1:1), (2R,3aS,7aR)-rel- Basic Attributes
295.8
259.15700
474-170-3
Computed Properties
Molecular Weight:259.34
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:259.157228913
Monoisotopic Mass:259.157228913
Topological Polar Surface Area:38.3
Heavy Atom Count:19
Complexity:312
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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