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108295-45-0 | [2,2':6',2''-Terpyridine]-4'-carboxaldehyde
CAS No: 108295-45-0 Catalog No: AG007UVW MDL No:
Product Description
Catalog Number:
AG007UVW
Chemical Name:
[2,2':6',2''-Terpyridine]-4'-carboxaldehyde
CAS Number:
108295-45-0
Molecular Formula:
C16H11N3O
Molecular Weight:
261.2780
IUPAC Name:
2,6-dipyridin-2-ylpyridine-4-carbaldehyde
InChI:
InChI=1S/C16H11N3O/c20-11-12-9-15(13-5-1-3-7-17-13)19-16(10-12)14-6-2-4-8-18-14/h1-11H
InChI Key:
MEMKUPMTILFZQJ-UHFFFAOYSA-N
SMILES:
O=Cc1cc(nc(c1)c1ccccn1)c1ccccn1
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.284g/mol
Monoisotopic Mass:
261.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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