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109604-76-4

109604-76-4 | Phenol, 2-(2-oxazolyl)-

CAS No: 109604-76-4 Catalog No: AG007AGW MDL No:

Product Description

Catalog Number:
AG007AGW
Chemical Name:
Phenol, 2-(2-oxazolyl)-
CAS Number:
109604-76-4
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
IUPAC Name:
2-(1,3-oxazol-2-yl)phenol
InChI:
InChI=1S/C9H7NO2/c11-8-4-2-1-3-7(8)9-10-5-6-12-9/h1-6,11H
InChI Key:
OKJDRGLFCIXKST-UHFFFAOYSA-N
SMILES:
Oc1ccccc1c1ncco1

Properties

Complexity:
152  
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
Matching-pursuit split-operator Fourier-transform simulations of excited-state intramolecular proton transfer in 2-(2'-hydroxyphenyl)-oxazole. The Journal of chemical physics 20060614
Coherent control in the presence of intrinsic decoherence: proton transfer in large molecular systems. Physical review letters 20020930

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