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52856-17-4 | 3-(2,6-Dimethoxybenzoyl)pyridine
CAS No: 52856-17-4 Catalog No: AG01EWCY MDL No:
Product Description
Catalog Number:
AG01EWCY
Chemical Name:
3-(2,6-Dimethoxybenzoyl)pyridine
CAS Number:
52856-17-4
Molecular Formula:
C14H13NO3
Molecular Weight:
243.2579
IUPAC Name:
(2,6-dimethoxyphenyl)-pyridin-3-ylmethanone
InChI:
InChI=1S/C14H13NO3/c1-17-11-6-3-7-12(18-2)13(11)14(16)10-5-4-8-15-9-10/h3-9H,1-2H3
InChI Key:
KCJIEZHYAPNJNV-UHFFFAOYSA-N
SMILES:
COc1cccc(c1C(=O)c1cccnc1)OC
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.09g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.262g/mol
Monoisotopic Mass:
243.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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