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79445-44-6 | 2-(3,4-Dimethoxyphenyl)pyridine
CAS No: 79445-44-6 Catalog No: AG01EXFE MDL No:
Product Description
Catalog Number:
AG01EXFE
Chemical Name:
2-(3,4-Dimethoxyphenyl)pyridine
CAS Number:
79445-44-6
Molecular Formula:
C13H13NO2
Molecular Weight:
215.2478
IUPAC Name:
2-(3,4-dimethoxyphenyl)pyridine
InChI:
InChI=1S/C13H13NO2/c1-15-12-7-6-10(9-13(12)16-2)11-5-3-4-8-14-11/h3-9H,1-2H3
InChI Key:
GDTGFWRUXZQNHK-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)c1ccccn1
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.252g/mol
Monoisotopic Mass:
215.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
31.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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