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Home > Pyridines > 898780-54-6
898780-54-6 | 2-(3,5-DIMETHYLBENZOYL)PYRIDINE
CAS No: 898780-54-6 Catalog No: AG006JJJ MDL No:
Product Description
Catalog Number:
AG006JJJ
Chemical Name:
2-(3,5-DIMETHYLBENZOYL)PYRIDINE
CAS Number:
898780-54-6
Molecular Formula:
C14H13NO
Molecular Weight:
211.2591
IUPAC Name:
(3,5-dimethylphenyl)-pyridin-2-ylmethanone
InChI:
InChI=1S/C14H13NO/c1-10-7-11(2)9-12(8-10)14(16)13-5-3-4-6-15-13/h3-9H,1-2H3
InChI Key:
MINQHLNZZSZGRP-UHFFFAOYSA-N
SMILES:
Cc1cc(C)cc(c1)C(=O)c1ccccn1
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.264g/mol
Monoisotopic Mass:
211.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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