200,000+ products from a single source!
sales@angenechem.com
Home > Pyridines > 825638-05-9
825638-05-9 | 3-Pyridinecarbonitrile, 1,6-dihydro-4-(4-methylphenyl)-6-oxo-
CAS No: 825638-05-9 Catalog No: AG005DO3 MDL No:
Product Description
Catalog Number:
AG005DO3
Chemical Name:
3-Pyridinecarbonitrile, 1,6-dihydro-4-(4-methylphenyl)-6-oxo-
CAS Number:
825638-05-9
Molecular Formula:
C13H10N2O
Molecular Weight:
210.2313
IUPAC Name:
4-(4-methylphenyl)-6-oxo-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C13H10N2O/c1-9-2-4-10(5-3-9)12-6-13(16)15-8-11(12)7-14/h2-6,8H,1H3,(H,15,16)
InChI Key:
IEQNKKLJOMNSCO-UHFFFAOYSA-N
SMILES:
N#Cc1c[nH]c(=O)cc1c1ccc(cc1)C
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.079g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.236g/mol
Monoisotopic Mass:
210.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.