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59776-91-9 | (4-isopropylphenyl)(pyridin-4-yl)methanone
CAS No: 59776-91-9 Catalog No: AG01DKBL MDL No:
Product Description
Catalog Number:
AG01DKBL
Chemical Name:
(4-isopropylphenyl)(pyridin-4-yl)methanone
CAS Number:
59776-91-9
Molecular Formula:
C15H15NO
Molecular Weight:
225.2857
IUPAC Name:
(4-propan-2-ylphenyl)-pyridin-4-ylmethanone
InChI:
InChI=1S/C15H15NO/c1-11(2)12-3-5-13(6-4-12)15(17)14-7-9-16-10-8-14/h3-11H,1-2H3
InChI Key:
UXVREIOQIBVKSM-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)C(=O)c1ccncc1)C
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.115g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.291g/mol
Monoisotopic Mass:
225.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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