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14627-93-1 | Pyridine, 3-[2-(3,4-dimethoxyphenyl)ethyl]-
CAS No: 14627-93-1 Catalog No: AG001DUB MDL No:
Product Description
Catalog Number:
AG001DUB
Chemical Name:
Pyridine, 3-[2-(3,4-dimethoxyphenyl)ethyl]-
CAS Number:
14627-93-1
Molecular Formula:
C15H17NO2
Molecular Weight:
243.3010
IUPAC Name:
3-[2-(3,4-dimethoxyphenyl)ethyl]pyridine
InChI:
InChI=1S/C15H17NO2/c1-17-14-8-7-12(10-15(14)18-2)5-6-13-4-3-9-16-11-13/h3-4,7-11H,5-6H2,1-2H3
InChI Key:
ZVNNLYRODDNIDP-UHFFFAOYSA-N
SMILES:
COc1cc(CCc2cccnc2)ccc1OC
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.126g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.306g/mol
Monoisotopic Mass:
243.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
31.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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