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Home > Pyridines > 1094639-27-6
1094639-27-6 | 3-(4-Isopropoxybenzoyl)pyridine
CAS No: 1094639-27-6 Catalog No: AG01FESO MDL No:
Product Description
Catalog Number:
AG01FESO
Chemical Name:
3-(4-Isopropoxybenzoyl)pyridine
CAS Number:
1094639-27-6
Molecular Formula:
C15H15NO2
Molecular Weight:
241.2851
IUPAC Name:
(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanone
InChI:
InChI=1S/C15H15NO2/c1-11(2)18-14-7-5-12(6-8-14)15(17)13-4-3-9-16-10-13/h3-11H,1-2H3
InChI Key:
KIMVBUOGKDWBCU-UHFFFAOYSA-N
SMILES:
CC(Oc1ccc(cc1)C(=O)c1cccnc1)C
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.11g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.29g/mol
Monoisotopic Mass:
241.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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