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Home > Pyridines > 101089-46-7
101089-46-7 | 1-Butanone, 1-phenyl-4-(4-pyridinyl)-
CAS No: 101089-46-7 Catalog No: AG0003Q5 MDL No:
Product Description
Catalog Number:
AG0003Q5
Chemical Name:
1-Butanone, 1-phenyl-4-(4-pyridinyl)-
CAS Number:
101089-46-7
Molecular Formula:
C15H15NO
Molecular Weight:
225.2857
IUPAC Name:
1-phenyl-4-pyridin-4-ylbutan-1-one
InChI:
InChI=1S/C15H15NO/c17-15(14-6-2-1-3-7-14)8-4-5-13-9-11-16-12-10-13/h1-3,6-7,9-12H,4-5,8H2
InChI Key:
KKTFGAZNZKVDJT-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CCCc1ccncc1
NSC Number:
101006
Properties
Complexity:
227
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:
5
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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