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63843-14-1 | 3-(pyridin-3-yl)cyclohex-2-en-1-one
CAS No: 63843-14-1 Catalog No: AG01BF99 MDL No:MFCD21129412
Product Description
Catalog Number:
AG01BF99
Chemical Name:
3-(pyridin-3-yl)cyclohex-2-en-1-one
CAS Number:
63843-14-1
Molecular Formula:
C11H11NO
Molecular Weight:
173.2111
MDL Number:
MFCD21129412
IUPAC Name:
3-pyridin-3-ylcyclohex-2-en-1-one
InChI:
InChI=1S/C11H11NO/c13-11-5-1-3-9(7-11)10-4-2-6-12-8-10/h2,4,6-8H,1,3,5H2
InChI Key:
ONIOZXVZKCKBPJ-UHFFFAOYSA-N
SMILES:
O=C1CCCC(=C1)c1cccnc1
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.215g/mol
Monoisotopic Mass:
173.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Synthesis and screening of small molecule inhibitors of anthrax edema factor. | Bioorganic & medicinal chemistry letters 20080715 |
| 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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