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68485-15-4 | 2-Benzyloxazole
CAS No: 68485-15-4 Catalog No: AG01ECGI MDL No:
Product Description
Catalog Number:
AG01ECGI
Chemical Name:
2-Benzyloxazole
CAS Number:
68485-15-4
IUPAC Name:
2-benzyl-1,3-oxazole
InChI:
InChI=1S/C10H9NO/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-7H,8H2
InChI Key:
CUYUPLKTWHWPQY-UHFFFAOYSA-N
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.068g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.188g/mol
Monoisotopic Mass:
159.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| J-aggregation and its characterization in Langmuir-Blodgett films of merocyanine dyes. | Advances in colloid and interface science 20041213 |
| Early prediction of pharmaceutical oxidation pathways by computational chemistry and forced degradation. | Pharmaceutical research 20040901 |
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