200,000+ products from a single source!
sales@angenechem.com
Home > Pyridines > 1187163-78-5
1187163-78-5 | 3-(4-Butoxybenzoyl)-4-methylpyridine
CAS No: 1187163-78-5 Catalog No: AG01FDC1 MDL No:
Product Description
Catalog Number:
AG01FDC1
Chemical Name:
3-(4-Butoxybenzoyl)-4-methylpyridine
CAS Number:
1187163-78-5
Molecular Formula:
C17H19NO2
Molecular Weight:
269.3383
IUPAC Name:
(4-butoxyphenyl)-(4-methylpyridin-3-yl)methanone
InChI:
InChI=1S/C17H19NO2/c1-3-4-11-20-15-7-5-14(6-8-15)17(19)16-12-18-10-9-13(16)2/h5-10,12H,3-4,11H2,1-2H3
InChI Key:
PFZJHVQGXGDNGM-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1)C(=O)c1cnccc1C
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.142g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.344g/mol
Monoisotopic Mass:
269.142g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.