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39574-37-3 | 2-(3,4-Dimethoxybenzoyl)-3-methylpyridine
CAS No: 39574-37-3 Catalog No: AG01EVSK MDL No:
Product Description
Catalog Number:
AG01EVSK
Chemical Name:
2-(3,4-Dimethoxybenzoyl)-3-methylpyridine
CAS Number:
39574-37-3
Molecular Formula:
C15H15NO3
Molecular Weight:
257.2845
IUPAC Name:
(3,4-dimethoxyphenyl)-(3-methylpyridin-2-yl)methanone
InChI:
InChI=1S/C15H15NO3/c1-10-5-4-8-16-14(10)15(17)11-6-7-12(18-2)13(9-11)19-3/h4-9H,1-3H3
InChI Key:
LPDLOBFIHDGFFR-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)C(=O)c1ncccc1C
NSC Number:
245460
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.105g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.289g/mol
Monoisotopic Mass:
257.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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