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59190-58-8 | 3-(3-Methylbenzoyl)pyridine
CAS No: 59190-58-8 Catalog No: AG01EWKK MDL No:
Product Description
Catalog Number:
AG01EWKK
Chemical Name:
3-(3-Methylbenzoyl)pyridine
CAS Number:
59190-58-8
Molecular Formula:
C13H11NO
Molecular Weight:
197.2325
IUPAC Name:
(3-methylphenyl)-pyridin-3-ylmethanone
InChI:
InChI=1S/C13H11NO/c1-10-4-2-5-11(8-10)13(15)12-6-3-7-14-9-12/h2-9H,1H3
InChI Key:
AQCYLQNJIBVMOM-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)C(=O)c1cccnc1
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.237g/mol
Monoisotopic Mass:
197.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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