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Home > Pyridines > 338752-91-3
338752-91-3 | 2-(6-hydroxypyridazin-3-yl)-2-(4-methoxyphenyl)acetonitrile
CAS No: 338752-91-3 Catalog No: AG00IQG2 MDL No:MFCD00140697
Product Description
Catalog Number:
AG00IQG2
Chemical Name:
2-(6-hydroxypyridazin-3-yl)-2-(4-methoxyphenyl)acetonitrile
CAS Number:
338752-91-3
Molecular Formula:
C13H11N3O2
Molecular Weight:
241.2453
MDL Number:
MFCD00140697
IUPAC Name:
2-(4-methoxyphenyl)-2-(6-oxo-1H-pyridazin-3-yl)acetonitrile
InChI:
InChI=1S/C13H11N3O2/c1-18-10-4-2-9(3-5-10)11(8-14)12-6-7-13(17)16-15-12/h2-7,11H,1H3,(H,16,17)
InChI Key:
BEOMFNYHNRNOTK-UHFFFAOYSA-N
SMILES:
N#CC(c1ccc(nn1)O)c1ccc(cc1)OC
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.085g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.25g/mol
Monoisotopic Mass:
241.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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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