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Home > Pyridines > 865075-99-6
865075-99-6 | 1-Phenoxy-4-pyridin-4-yl-butan-2-ol
CAS No: 865075-99-6 Catalog No: AG01EXYU MDL No:MFCD06637433
Product Description
Catalog Number:
AG01EXYU
Chemical Name:
1-Phenoxy-4-pyridin-4-yl-butan-2-ol
CAS Number:
865075-99-6
Molecular Formula:
C15H17NO2
Molecular Weight:
243.3010
MDL Number:
MFCD06637433
IUPAC Name:
1-phenoxy-4-pyridin-4-ylbutan-2-ol
InChI:
InChI=1S/C15H17NO2/c17-14(7-6-13-8-10-16-11-9-13)12-18-15-4-2-1-3-5-15/h1-5,8-11,14,17H,6-7,12H2
InChI Key:
PPGASKBPYAWHDD-UHFFFAOYSA-N
SMILES:
OC(COc1ccccc1)CCc1ccncc1
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.126g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.306g/mol
Monoisotopic Mass:
243.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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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