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16344-79-9 | Pyridine, 2-[2-(4-methoxyphenyl)ethynyl]-
CAS No: 16344-79-9 Catalog No: AG001U4K MDL No:
Product Description
Catalog Number:
AG001U4K
Chemical Name:
Pyridine, 2-[2-(4-methoxyphenyl)ethynyl]-
CAS Number:
16344-79-9
Molecular Formula:
C14H11NO
Molecular Weight:
209.2432
IUPAC Name:
2-[2-(4-methoxyphenyl)ethynyl]pyridine
InChI:
InChI=1S/C14H11NO/c1-16-14-9-6-12(7-10-14)5-8-13-4-2-3-11-15-13/h2-4,6-7,9-11H,1H3
InChI Key:
NCIBBUGBCFIBOB-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C#Cc1ccccn1
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.084g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.248g/mol
Monoisotopic Mass:
209.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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