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28487-17-4 | Cyclohexanone, 2-[2-(4-pyridinyl)ethyl]-
CAS No: 28487-17-4 Catalog No: AG002VIA MDL No:
Product Description
Catalog Number:
AG002VIA
Chemical Name:
Cyclohexanone, 2-[2-(4-pyridinyl)ethyl]-
CAS Number:
28487-17-4
Molecular Formula:
C13H17NO
Molecular Weight:
203.2802
IUPAC Name:
2-(2-pyridin-4-ylethyl)cyclohexan-1-one
InChI:
InChI=1S/C13H17NO/c15-13-4-2-1-3-12(13)6-5-11-7-9-14-10-8-11/h7-10,12H,1-6H2
InChI Key:
ZFJZMLITADDWGG-UHFFFAOYSA-N
SMILES:
O=C1CCCCC1CCc1ccncc1
NSC Number:
42786
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.285g/mol
Monoisotopic Mass:
203.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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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