200,000+ products from a single source!
sales@angenechem.com
Home > Pyridines > 101558-59-2
101558-59-2 | Pyridinium, 4-benzoyl-1-methyl-
CAS No: 101558-59-2 Catalog No: AG0004RJ MDL No:
Product Description
Catalog Number:
AG0004RJ
Chemical Name:
Pyridinium, 4-benzoyl-1-methyl-
CAS Number:
101558-59-2
Molecular Formula:
C13H12NO+
Molecular Weight:
198.2405
IUPAC Name:
(1-methylpyridin-1-ium-4-yl)-phenylmethanone
InChI:
InChI=1S/C13H12NO/c1-14-9-7-12(8-10-14)13(15)11-5-3-2-4-6-11/h2-10H,1H3/q+1
InChI Key:
KIIFMEZUSAELQK-UHFFFAOYSA-N
SMILES:
C[n+]1ccc(cc1)C(=O)c1ccccc1
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.092g/mol
Formal Charge:
1
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.245g/mol
Monoisotopic Mass:
198.092g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.