Name: Name:3-Pyridinecarbonitrile, 1,2-dihydro-6-(2-methylpropyl)-2-oxo-
Brand: Angene
SKU: AG00559V
Rating: 90 (10 reviews)

3-Pyridinecarbonitrile, 1,2-dihydro-6-(2-methylpropyl)-2-oxo-

CAS No.:

80065-99-2

Catalog Number:

AG00559V

Molecular Formula:

C10H12N2O

Molecular Weight:

176.2151

Catalog Number:

AG00559V

Chemical Name:

3-Pyridinecarbonitrile, 1,2-dihydro-6-(2-methylpropyl)-2-oxo-

CAS Number:

80065-99-2

Molecular Formula:

C10H12N2O

Molecular Weight:

176.2151

MDL Number:

MFCD22375156

IUPAC Name:

6-(2-methylpropyl)-2-oxo-1H-pyridine-3-carbonitrile

InChI:

InChI=1S/C10H12N2O/c1-7(2)5-9-4-3-8(6-11)10(13)12-9/h3-4,7H,5H2,1-2H3,(H,12,13)

InChI Key:

XFALEPMMKPRCIU-UHFFFAOYSA-N

SMILES:

CC(Cc1ccc(c(=O)[nH]1)C#N)C

Complexity:

328

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

176.095g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

176.219g/mol

Monoisotopic Mass:

176.095g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

52.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7