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Home > Pyridines > 100866-13-5
100866-13-5 | Ethanone, 1-(4-methylphenyl)-2-(4-pyridinyl)-
CAS No: 100866-13-5 Catalog No: AG00031W MDL No:MFCD04114381
Product Description
Catalog Number:
AG00031W
Chemical Name:
Ethanone, 1-(4-methylphenyl)-2-(4-pyridinyl)-
CAS Number:
100866-13-5
Molecular Formula:
C14H13NO
Molecular Weight:
211.2591
MDL Number:
MFCD04114381
IUPAC Name:
1-(4-methylphenyl)-2-pyridin-4-ylethanone
InChI:
InChI=1S/C14H13NO/c1-11-2-4-13(5-3-11)14(16)10-12-6-8-15-9-7-12/h2-9H,10H2,1H3
InChI Key:
XUCKHEMSKSGZAI-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(=O)Cc1ccncc1
Properties
Complexity:
225
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:
3
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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