Name: Name:6-tert-Butyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
Brand: Angene
SKU: AG00D63W
Rating: 90 (10 reviews)

6-tert-Butyl-2-oxo-1,2-dihydropyridine-3-carbonitrile

CAS No.:

4138-19-6

Catalog Number:

AG00D63W

Molecular Formula:

C10H12N2O

Molecular Weight:

176.2151

Catalog Number:

AG00D63W

Chemical Name:

6-tert-Butyl-2-oxo-1,2-dihydropyridine-3-carbonitrile

CAS Number:

4138-19-6

Molecular Formula:

C10H12N2O

Molecular Weight:

176.2151

MDL Number:

MFCD10478931

IUPAC Name:

6-tert-butyl-2-oxo-1H-pyridine-3-carbonitrile

InChI:

InChI=1S/C10H12N2O/c1-10(2,3)8-5-4-7(6-11)9(13)12-8/h4-5H,1-3H3,(H,12,13)

InChI Key:

GQRGMRVSJVMBMH-UHFFFAOYSA-N

SMILES:

N#Cc1ccc([nH]c1=O)C(C)(C)C

Complexity:

347

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:

1.8