CAS 29953-71-7 | 2-Propenoic acid, 3-(1H-indol-3-yl)-, (2E)- | CAS Number 29953-71-7

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29953-71-7 | 2-Propenoic acid, 3-(1H-indol-3-yl)-, (2E)-

CAS No: 29953-71-7 Catalog No: AG00I5KN MDL No:MFCD00005633

Product Description

Catalog Number:

AG00I5KN

Chemical Name:

2-Propenoic acid, 3-(1H-indol-3-yl)-, (2E)-

CAS Number:

29953-71-7

Molecular Formula:

C11H9NO2

Molecular Weight:

187.1947

MDL Number:

MFCD00005633

IUPAC Name:

(E)-3-(1H-indol-3-yl)prop-2-enoic acid

InChI:

InChI=1S/C11H9NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-7,12H,(H,13,14)/b6-5+

InChI Key:

PLVPPLCLBIEYEA-AATRIKPKSA-N

SMILES:

OC(=O)/C=C/c1c[nH]c2c1cccc2

EC Number:

214-872-7

UNII:

83X500J040

Properties

Complexity:

250

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

187.063g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

187.198g/mol

Monoisotopic Mass:

187.063g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

53.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2

Literature

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Chemical genetics-based discovery of indole derivatives as HCV NS5B polymerase inhibitors.	European journal of medicinal chemistry 20140321
A urinary metabonomics study on biochemical changes in yeast-induced pyrexia rats: a new approach to elucidating the biochemical basis of the febrile response.	Chemico-biological interactions 20130625
Exploration of natural compounds as sources of new bifunctional scaffolds targeting cholinesterases and beta amyloid aggregation: the case of chelerythrine.	Bioorganic & medicinal chemistry 20121115
Tryptophan 2,3-dioxygenase (TDO) inhibitors. 3-(2-(pyridyl)ethenyl)indoles as potential anticancer immunomodulators.	Journal of medicinal chemistry 20110811
Cold-adapted and rhizosphere-competent strain of Rahnella sp. with broad-spectrum plant growth-promotion potential.	Journal of microbiology and biotechnology 20101201
Over-expression of the IGI1 leading to altered shoot-branching development related to MAX pathway in Arabidopsis.	Plant molecular biology 20100801
Structural insight into the inhibition of human kynurenine aminotransferase I/glutamine transaminase K.	Journal of medicinal chemistry 20090514
Allosteric regulation of tryptophan synthase channeling: the internal aldimine probed by trans-3-indole-3'-acrylate binding.	Biochemistry 20070703
Effect of matrix and solvent on the analysis of novel poly(phenylenevinylene) derivatives by matrix-assisted laser desorption/ionization time-of-flight mass spectrometry.	Rapid communications in mass spectrometry : RCM 20040101
The use of nonpolar matrices for matrix-assisted laser desorption/ionization mass spectrometric analysis of high boiling crude oil fractions.	Rapid communications in mass spectrometry : RCM 20030101