Name: Name:2-methyl-4-oxo-4-(pyridin-3-yl)butanenitrile
Brand: Angene
SKU: AG01A5ZC
Rating: 90 (10 reviews)

2-methyl-4-oxo-4-(pyridin-3-yl)butanenitrile

CAS No.:

1181313-78-9

Catalog Number:

AG01A5ZC

Molecular Formula:

C10H10N2O

Molecular Weight:

174.1992

Catalog Number:

AG01A5ZC

Chemical Name:

2-methyl-4-oxo-4-(pyridin-3-yl)butanenitrile

CAS Number:

1181313-78-9

Molecular Formula:

C10H10N2O

Molecular Weight:

174.1992

MDL Number:

MFCD11893464

IUPAC Name:

2-methyl-4-oxo-4-pyridin-3-ylbutanenitrile

InChI:

InChI=1S/C10H10N2O/c1-8(6-11)5-10(13)9-3-2-4-12-7-9/h2-4,7-8H,5H2,1H3

InChI Key:

RUYMBISHAPEKDL-UHFFFAOYSA-N

SMILES:

N#CC(CC(=O)c1cccnc1)C

Complexity:

228

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

174.079g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

174.203g/mol

Monoisotopic Mass:

174.079g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

53.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.6