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Home > Pyridines > 1187167-81-2
1187167-81-2 | 3-(3-Methoxybenzoyl)-4-methylpyridine
CAS No: 1187167-81-2 Catalog No: AG01FCXB MDL No:
Product Description
Catalog Number:
AG01FCXB
Chemical Name:
3-(3-Methoxybenzoyl)-4-methylpyridine
CAS Number:
1187167-81-2
Molecular Formula:
C14H13NO2
Molecular Weight:
227.2585
IUPAC Name:
(3-methoxyphenyl)-(4-methylpyridin-3-yl)methanone
InChI:
InChI=1S/C14H13NO2/c1-10-6-7-15-9-13(10)14(16)11-4-3-5-12(8-11)17-2/h3-9H,1-2H3
InChI Key:
ZPDPJGORMFAGKG-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C(=O)c1cnccc1C
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.263g/mol
Monoisotopic Mass:
227.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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