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114527-28-5 | [2,2'-Bipyridine]-4-butanoic acid, 4'-methyl-
CAS No: 114527-28-5 Catalog No: AG000EMR MDL No:MFCD15144908
Product Description
Catalog Number:
AG000EMR
Chemical Name:
[2,2'-Bipyridine]-4-butanoic acid, 4'-methyl-
CAS Number:
114527-28-5
Molecular Formula:
C15H16N2O2
Molecular Weight:
256.2997
MDL Number:
MFCD15144908
IUPAC Name:
4-[2-(4-methylpyridin-2-yl)pyridin-4-yl]butanoic acid
InChI:
InChI=1S/C15H16N2O2/c1-11-5-7-16-13(9-11)14-10-12(6-8-17-14)3-2-4-15(18)19/h5-10H,2-4H2,1H3,(H,18,19)
InChI Key:
LFMPLEMXVCGLMX-UHFFFAOYSA-N
SMILES:
OC(=O)CCCc1ccnc(c1)c1nccc(c1)C
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.121g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.305g/mol
Monoisotopic Mass:
256.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Multimetallic ruthenium(II) complexes as electrochemiluminescent labels. | Inorganic chemistry 20031201 |
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