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Home > Pyridines > 157592-45-5
157592-45-5 | Methanone, [4-(1,1-dimethylethyl)phenyl]-2-pyridinyl-
CAS No: 157592-45-5 Catalog No: AG001PIY MDL No:MFCD07699248
Product Description
Catalog Number:
AG001PIY
Chemical Name:
Methanone, [4-(1,1-dimethylethyl)phenyl]-2-pyridinyl-
CAS Number:
157592-45-5
Molecular Formula:
C16H17NO
Molecular Weight:
239.3123
MDL Number:
MFCD07699248
IUPAC Name:
(4-tert-butylphenyl)-pyridin-2-ylmethanone
InChI:
InChI=1S/C16H17NO/c1-16(2,3)13-9-7-12(8-10-13)15(18)14-6-4-5-11-17-14/h4-11H,1-3H3
InChI Key:
NOJGASQUBZLMKT-UHFFFAOYSA-N
SMILES:
O=C(c1ccccn1)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.131g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.318g/mol
Monoisotopic Mass:
239.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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