CAS 7153-77-7 | 1-phenyl-4-(2-pyridinyl)-1-butanone | CAS Number 7153-77-7

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7153-77-7 | 1-phenyl-4-(2-pyridinyl)-1-butanone

CAS No: 7153-77-7 Catalog No: AG005GTU MDL No:

Product Description

Catalog Number:

AG005GTU

Chemical Name:

1-phenyl-4-(2-pyridinyl)-1-butanone

CAS Number:

7153-77-7

Molecular Formula:

C15H15NO

Molecular Weight:

225.2857

IUPAC Name:

1-phenyl-4-pyridin-2-ylbutan-1-one

InChI:

InChI=1S/C15H15NO/c17-15(13-7-2-1-3-8-13)11-6-10-14-9-4-5-12-16-14/h1-5,7-9,12H,6,10-11H2

InChI Key:

CRUVDMPFOYFNCE-UHFFFAOYSA-N

SMILES:

O=C(c1ccccc1)CCCc1ccccn1

NSC Number:

56227

Properties

Complexity:

233

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

225.115g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

225.291g/mol

Monoisotopic Mass:

225.115g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

30A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8

Literature

Title	Journal
A novel antiproliferative agent, phenylpyridineylbutenol, isolated from Streptomyces sp.	Bioorganic & medicinal chemistry letters 20061101
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