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68535-56-8 | 4-(Oxazol-2-yl)phenol
CAS No: 68535-56-8 Catalog No: AG005PHI MDL No:MFCD11040382
Product Description
Catalog Number:
AG005PHI
Chemical Name:
4-(Oxazol-2-yl)phenol
CAS Number:
68535-56-8
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
MDL Number:
MFCD11040382
IUPAC Name:
4-(1,3-oxazol-2-yl)phenol
InChI:
InChI=1S/C9H7NO2/c11-8-3-1-7(2-4-8)9-10-5-6-12-9/h1-6,11H
InChI Key:
STJNWMLZBDCDKL-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)c1ncco1
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.048g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.16g/mol
Monoisotopic Mass:
161.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Generation of blue light-emitting zinc complexes by band-gap control of the oxazolylphenolate ligand system: syntheses, characterizations, and organic light emitting device applications of 4-coordinated bis(2-oxazolylphenolate) zinc(II) complexes. | Inorganic chemistry 20080707 |
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