CAS 2436-17-1 | 2-(5-Methoxy-1H-indol-3-yl)acetonitrile | CAS Number 2436-17-1

200,000+ products from a single source!

sales@angenechem.com

Product Categories

Home > Indoles and Oxindole > 2436-17-1

2436-17-1 | 2-(5-Methoxy-1H-indol-3-yl)acetonitrile

CAS No: 2436-17-1 Catalog No: AG006W7A MDL No:MFCD02094163

Product Description

Catalog Number:

AG006W7A

Chemical Name:

2-(5-Methoxy-1H-indol-3-yl)acetonitrile

CAS Number:

2436-17-1

Molecular Formula:

C11H10N2O

Molecular Weight:

186.2099

MDL Number:

MFCD02094163

IUPAC Name:

2-(5-methoxy-1H-indol-3-yl)acetonitrile

InChI:

InChI=1S/C11H10N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4H2,1H3

InChI Key:

ZBQCXEREMRGOCO-UHFFFAOYSA-N

SMILES:

N#CCc1c[nH]c2c1cc(OC)cc2

Properties

Complexity:

245

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

186.079g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

186.214g/mol

Monoisotopic Mass:

186.079g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

48.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7

Literature

Title	Journal
(5-Meth-oxy-1H-indol-3-yl)acetonitrile.	Acta crystallographica. Section E, Structure reports online 20120101
Efficient formal total synthesis of physostigmine and physovenine: conformational analysis of key intermediates.	Journal of natural products 20020201