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56970-93-5 | pyridin-3-yl(pyridin-4-yl)methanone
CAS No: 56970-93-5 Catalog No: AG01EHR6 MDL No:MFCD03084287
Product Description
Catalog Number:
AG01EHR6
Chemical Name:
pyridin-3-yl(pyridin-4-yl)methanone
CAS Number:
56970-93-5
Molecular Formula:
C11H8N2O
Molecular Weight:
184.1940
MDL Number:
MFCD03084287
IUPAC Name:
pyridin-3-yl(pyridin-4-yl)methanone
InChI:
InChI=1S/C11H8N2O/c14-11(9-3-6-12-7-4-9)10-2-1-5-13-8-10/h1-8H
InChI Key:
PKNBEXFZRUHWSZ-UHFFFAOYSA-N
SMILES:
O=C(c1ccncc1)c1cccnc1
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.064g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.198g/mol
Monoisotopic Mass:
184.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| catena-Poly[[[bis-(acetato-κ(2)O,O')aqua-cadmium]-μ-[(pyridin-3-yl)(pyridin-4-yl)methanone]-κ(2)N:N'] dihydrate]. | Acta crystallographica. Section E, Structure reports online 20120601 |
| Poly[di-μ(3)-chlorido-[μ(2)-(3-pyrid-yl)(4-pyrid-yl)methanone-κN:N']dicopper(I)]. | Acta crystallographica. Section E, Structure reports online 20081201 |
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