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Home > Pyridines > 809249-05-6
809249-05-6 | 2-Propenoic acid, 2-methyl-, (4'-methyl[2,2'-bipyridin]-4-yl)methyl ester
CAS No: 809249-05-6 Catalog No: AG005HVP MDL No:
Product Description
Catalog Number:
AG005HVP
Chemical Name:
2-Propenoic acid, 2-methyl-, (4'-methyl[2,2'-bipyridin]-4-yl)methyl ester
CAS Number:
809249-05-6
Molecular Formula:
C16H16N2O2
Molecular Weight:
268.3104
IUPAC Name:
[2-(4-methylpyridin-2-yl)pyridin-4-yl]methyl 2-methylprop-2-enoate
InChI:
InChI=1S/C16H16N2O2/c1-11(2)16(19)20-10-13-5-7-18-15(9-13)14-8-12(3)4-6-17-14/h4-9H,1,10H2,2-3H3
InChI Key:
BJHJGCGCBJKWFO-UHFFFAOYSA-N
SMILES:
Cc1ccnc(c1)c1nccc(c1)COC(=O)C(=C)C
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.121g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.316g/mol
Monoisotopic Mass:
268.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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