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Home > Pyridines > 165948-37-8
165948-37-8 | 2-Pyridinemethanol, 4-hydroxy-5-(phenylmethoxy)-
CAS No: 165948-37-8 Catalog No: AG001WF6 MDL No:MFCD12922670
Product Description
Catalog Number:
AG001WF6
Chemical Name:
2-Pyridinemethanol, 4-hydroxy-5-(phenylmethoxy)-
CAS Number:
165948-37-8
Molecular Formula:
C13H13NO3
Molecular Weight:
231.2472
MDL Number:
MFCD12922670
IUPAC Name:
2-(hydroxymethyl)-5-phenylmethoxy-1H-pyridin-4-one
InChI:
InChI=1S/C13H13NO3/c15-8-11-6-12(16)13(7-14-11)17-9-10-4-2-1-3-5-10/h1-7,15H,8-9H2,(H,14,16)
InChI Key:
IWJLZADTSIIYBX-UHFFFAOYSA-N
SMILES:
OCc1ncc(c(c1)O)OCc1ccccc1
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.251g/mol
Monoisotopic Mass:
231.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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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