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Home > Pyridines > 823198-82-9
823198-82-9 | Pyridine, 2-[(2,5-dimethoxyphenyl)ethynyl]-6-methyl-, hydrochloride
CAS No: 823198-82-9 Catalog No: AG005F5U MDL No:
Product Description
Catalog Number:
AG005F5U
Chemical Name:
Pyridine, 2-[(2,5-dimethoxyphenyl)ethynyl]-6-methyl-, hydrochloride
CAS Number:
823198-82-9
Molecular Formula:
C16H16ClNO2
Molecular Weight:
289.7567
IUPAC Name:
2-[2-(2,5-dimethoxyphenyl)ethynyl]-6-methylpyridine;hydrochloride
InChI:
InChI=1S/C16H15NO2.ClH/c1-12-5-4-6-14(17-12)8-7-13-11-15(18-2)9-10-16(13)19-3;/h4-6,9-11H,1-3H3;1H
InChI Key:
DUVVFSKIGCVRDV-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)C#Cc1cccc(n1)C)OC.Cl
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.087g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.759g/mol
Monoisotopic Mass:
289.087g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
31.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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