CAS 19012-03-4 | 1H-Indole-3-carboxaldehyde, 1-methyl- | CAS Number 19012-03-4

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19012-03-4 | 1H-Indole-3-carboxaldehyde, 1-methyl-

CAS No: 19012-03-4 Catalog No: AG002EBZ MDL No:MFCD00014570

Product Description

Catalog Number:

AG002EBZ

Chemical Name:

1H-Indole-3-carboxaldehyde, 1-methyl-

CAS Number:

19012-03-4

Molecular Formula:

C10H9NO

Molecular Weight:

159.1846

MDL Number:

MFCD00014570

IUPAC Name:

1-methylindole-3-carbaldehyde

InChI:

InChI=1S/C10H9NO/c1-11-6-8(7-12)9-4-2-3-5-10(9)11/h2-7H,1H3

InChI Key:

KXYBYRKRRGSZCX-UHFFFAOYSA-N

SMILES:

O=Cc1cn(c2c1cccc2)C

EC Number:

242-750-3

NSC Number:

83042

Properties

Complexity:

181

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

159.068g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

159.188g/mol

Monoisotopic Mass:

159.068g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

22A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7

Literature

Title	Journal
Formyl- and acetylindols: vibrational spectroscopy of an expectably pharmacologically active compound family.	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20091201
A novel chalcone derivative which acts as a microtubule depolymerising agent and an inhibitor of P-gp and BCRP in in-vitro and in-vivo glioblastoma models.	BMC cancer 20090101
N-Acetyl-2-hydroxy-N'-[methoxy(1-methylindol-2-yl)methyl]benzohydrazide.	Acta crystallographica. Section E, Structure reports online 20080901
Low molecular weight indole fragments as IMPDH inhibitors.	Bioorganic & medicinal chemistry letters 20060501
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
(Z)-3-(1-Methyl-1H-indol-3-yl)-2-(thiophen-3-yl)acrylonitrile.	Acta crystallographica. Section C, Crystal structure communications 20040301
1-Methylindole-3-carboxaldehyde oxime derivatives.	Acta crystallographica. Section C, Crystal structure communications 20010101