3-(1H-indol-3-yl)-2-oxobutanoic acid
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3-(1H-indol-3-yl)-2-oxobutanoic acid
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CAS No:
21193-60-2
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Formula:
C12H11NO3
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Chemical Name:
3-(1H-indol-3-yl)-2-oxobutanoic acid
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Synonyms:
3-Methylindolepyruvate;3-(indol-3-yl)-2-oxobutyric acid;3-(1H-indol-3-yl)-2-oxobutanoic acid;CHEBI:28549;C05644;Q27103766;21193-60-2
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CAS No:
Description
3-(indol-3-yl)-2-oxobutyric acid is a 2-oxo monocarboxylic acid that is 2-oxobutyric acid which is substituted at position 3 by an indol-3-yl group. It is an indol-3-yl carboxylic acid and a 2-oxo monocarboxylic acid. It derives from a butyric acid.
Computed Properties
Molecular Weight:217.22
XLogP3:2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:217.07389321
Monoisotopic Mass:217.07389321
Topological Polar Surface Area:70.2
Heavy Atom Count:16
Complexity:303
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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