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64306-57-6 | 3-(2,5-Dimethoxybenzoyl)pyridine
CAS No: 64306-57-6 Catalog No: AG01EWRS MDL No:
Product Description
Catalog Number:
AG01EWRS
Chemical Name:
3-(2,5-Dimethoxybenzoyl)pyridine
CAS Number:
64306-57-6
Molecular Formula:
C14H13NO3
Molecular Weight:
243.2579
IUPAC Name:
(2,5-dimethoxyphenyl)-pyridin-3-ylmethanone
InChI:
InChI=1S/C14H13NO3/c1-17-11-5-6-13(18-2)12(8-11)14(16)10-4-3-7-15-9-10/h3-9H,1-2H3
InChI Key:
ZURWVDYSJMWWSX-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)C(=O)c1cccnc1)OC
Properties
Complexity:
282
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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