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Home > Pyridines > 1190645-04-5
1190645-04-5 | 3,3'-Bipyridine, 5-methoxy-
CAS No: 1190645-04-5 Catalog No: AG000P5G MDL No:
Product Description
Catalog Number:
AG000P5G
Chemical Name:
3,3'-Bipyridine, 5-methoxy-
CAS Number:
1190645-04-5
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
IUPAC Name:
3-methoxy-5-pyridin-3-ylpyridine
InChI:
InChI=1S/C11H10N2O/c1-14-11-5-10(7-13-8-11)9-3-2-4-12-6-9/h2-8H,1H3
InChI Key:
MESIWFACISTOID-UHFFFAOYSA-N
SMILES:
COc1cncc(c1)c1cccnc1
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.214g/mol
Monoisotopic Mass:
186.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Two new polymorphs of 4-(N,N-dimethylamino)benzoic acid. | Acta crystallographica. Section C, Crystal structure communications 20051201 |
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