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260417-55-8 | 3-(3-methoxybenzoyl)pyridine
CAS No: 260417-55-8 Catalog No: AG01ABDO MDL No:MFCD12153278
Product Description
Catalog Number:
AG01ABDO
Chemical Name:
3-(3-methoxybenzoyl)pyridine
CAS Number:
260417-55-8
Molecular Formula:
C13H11NO2
Molecular Weight:
213.2319
MDL Number:
MFCD12153278
IUPAC Name:
(3-methoxyphenyl)-pyridin-3-ylmethanone
InChI:
InChI=1S/C13H11NO2/c1-16-12-6-2-4-10(8-12)13(15)11-5-3-7-14-9-11/h2-9H,1H3
InChI Key:
PQWLVSWJIRPNTL-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C(=O)c1cccnc1
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.079g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.236g/mol
Monoisotopic Mass:
213.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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