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Home > Pyridines > 1187168-48-4
1187168-48-4 | 3-(4-Pentyloxybenzoyl)pyridine
CAS No: 1187168-48-4 Catalog No: AG01FEZX MDL No:
Product Description
Catalog Number:
AG01FEZX
Chemical Name:
3-(4-Pentyloxybenzoyl)pyridine
CAS Number:
1187168-48-4
Molecular Formula:
C17H19NO2
Molecular Weight:
269.3383
IUPAC Name:
(4-pentoxyphenyl)-pyridin-3-ylmethanone
InChI:
InChI=1S/C17H19NO2/c1-2-3-4-12-20-16-9-7-14(8-10-16)17(19)15-6-5-11-18-13-15/h5-11,13H,2-4,12H2,1H3
InChI Key:
MFYGTCBXPQWAIN-UHFFFAOYSA-N
SMILES:
CCCCCOc1ccc(cc1)C(=O)c1cccnc1
Properties
Complexity:
285
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:
7
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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