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81428-58-2 | Phenol, 4-(4,5-dihydro-2-oxazolyl)-
CAS No: 81428-58-2 Catalog No: AG008ME3 MDL No:
Product Description
Catalog Number:
AG008ME3
Chemical Name:
Phenol, 4-(4,5-dihydro-2-oxazolyl)-
CAS Number:
81428-58-2
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
IUPAC Name:
4-(4,5-dihydro-1,3-oxazol-2-yl)phenol
InChI:
InChI=1S/C9H9NO2/c11-8-3-1-7(2-4-8)9-10-5-6-12-9/h1-4,11H,5-6H2
InChI Key:
CISDUCORJHLMML-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C1=NCCO1
NSC Number:
405254
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Three isomeric forms of hydroxyphenyl-2-oxazoline: 2-(2-hydroxyphenyl)-2-oxazoline, 2-(3-hydroxyphenyl)-2-oxazoline and 2-(4-hydroxyphenyl)-2-oxazoline. | Acta crystallographica. Section C, Crystal structure communications 20051001 |
| Human rhinovirus 14 complexed with fragments of active antiviral compounds. | Virology 19940701 |
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