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Home > Pyridines > 1187171-49-8
1187171-49-8 | 3-(4-Butoxybenzoyl)pyridine
CAS No: 1187171-49-8 Catalog No: AG01FFD7 MDL No:
Product Description
Catalog Number:
AG01FFD7
Chemical Name:
3-(4-Butoxybenzoyl)pyridine
CAS Number:
1187171-49-8
Molecular Formula:
C16H17NO2
Molecular Weight:
255.3117
IUPAC Name:
(4-butoxyphenyl)-pyridin-3-ylmethanone
InChI:
InChI=1S/C16H17NO2/c1-2-3-11-19-15-8-6-13(7-9-15)16(18)14-5-4-10-17-12-14/h4-10,12H,2-3,11H2,1H3
InChI Key:
VSASHPIKXGCOTB-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1)C(=O)c1cccnc1
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.126g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.317g/mol
Monoisotopic Mass:
255.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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