Name: Name:2-(3-methoxyphenyl)-3-oxo-3-(pyridin-3-yl)propanenitrile
Brand: Angene
SKU: AG01C1JW
Rating: 90 (10 reviews)

2-(3-methoxyphenyl)-3-oxo-3-(pyridin-3-yl)propanenitrile

CAS No.:

1291678-94-8

Catalog Number:

AG01C1JW

Molecular Formula:

C15H12N2O2

Molecular Weight:

252.2680

Catalog Number:

AG01C1JW

Chemical Name:

2-(3-methoxyphenyl)-3-oxo-3-(pyridin-3-yl)propanenitrile

CAS Number:

1291678-94-8

Molecular Formula:

C15H12N2O2

Molecular Weight:

252.2680

MDL Number:

MFCD13324961

IUPAC Name:

2-(3-methoxyphenyl)-3-oxo-3-pyridin-3-ylpropanenitrile

InChI:

InChI=1S/C15H12N2O2/c1-19-13-6-2-4-11(8-13)14(9-16)15(18)12-5-3-7-17-10-12/h2-8,10,14H,1H3

InChI Key:

RCPHNIQTZVUASN-UHFFFAOYSA-N

SMILES:

N#CC(C(=O)c1cccnc1)c1cccc(c1)OC

Complexity:

360

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

252.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

252.273g/mol

Monoisotopic Mass:

252.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1