CAS 39974-94-2 | 5-Methoxy-1-methyl-1H-indole-3-carbaldehyde | CAS Number 39974-94-2

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39974-94-2 | 5-Methoxy-1-methyl-1H-indole-3-carbaldehyde

CAS No: 39974-94-2 Catalog No: AG003MTW MDL No:MFCD01578324

Product Description

Catalog Number:

AG003MTW

Chemical Name:

5-Methoxy-1-methyl-1H-indole-3-carbaldehyde

CAS Number:

39974-94-2

Molecular Formula:

C11H11NO2

Molecular Weight:

189.2105

MDL Number:

MFCD01578324

IUPAC Name:

5-methoxy-1-methylindole-3-carbaldehyde

InChI:

InChI=1S/C11H11NO2/c1-12-6-8(7-13)10-5-9(14-2)3-4-11(10)12/h3-7H,1-2H3

InChI Key:

OFNAEHQJIMREFJ-UHFFFAOYSA-N

SMILES:

COc1ccc2c(c1)c(C=O)cn2C

Properties

Complexity:

219

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

189.079g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

189.214g/mol

Monoisotopic Mass:

189.079g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

31.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4

Literature

Title	Journal
Virtual screening identification of nonfolate compounds, including a CNS drug, as antiparasitic agents inhibiting pteridine reductase.	Journal of medicinal chemistry 20110113
1-Methylindole-3-carboxaldehyde oxime derivatives.	Acta crystallographica. Section C, Crystal structure communications 20010101