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68549-64-4 | 3-(4-Phenoxybenzoyl)pyridine
CAS No: 68549-64-4 Catalog No: AG01EWYC MDL No:
Product Description
Catalog Number:
AG01EWYC
Chemical Name:
3-(4-Phenoxybenzoyl)pyridine
CAS Number:
68549-64-4
Molecular Formula:
C18H13NO2
Molecular Weight:
275.3013
IUPAC Name:
(4-phenoxyphenyl)-pyridin-3-ylmethanone
InChI:
InChI=1S/C18H13NO2/c20-18(15-5-4-12-19-13-15)14-8-10-17(11-9-14)21-16-6-2-1-3-7-16/h1-13H
InChI Key:
VUSPHSOZDOEKKC-UHFFFAOYSA-N
SMILES:
O=C(c1cccnc1)c1ccc(cc1)Oc1ccccc1
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.095g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.307g/mol
Monoisotopic Mass:
275.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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