(3S)-1,1-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid
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![(3S)-1,1-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/e916574847fd47bcb19aaefd17106011.png "(3S)-1,1-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid")
(3S)-1,1-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid
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CAS No:
246137-68-8
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Formula:
C14H16N2O2
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Chemical Name:
(3S)-1,1-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid
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Synonyms:
(3S)-1,1-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid;CHEBI:92589;ZINC2820895;AKOS004907328;MCULE-3358209913;BRD-K33720394-001-01-1;Q27164309;246137-68-8
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CAS No:
Description
(3S)-1,1-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid is a harmala alkaloid.
(3S)-1,1-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid Basic Attributes
244.29 g/mol
244.121177757 g/mol
Computed Properties
Molecular Weight:244.29
XLogP3:-0.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:244.121177757
Monoisotopic Mass:244.121177757
Topological Polar Surface Area:65.1
Heavy Atom Count:18
Complexity:356
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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