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70216-32-9 | Oxazole,5-(3,4-dimethoxyphenyl)-2-phenyl-
CAS No: 70216-32-9 Catalog No: AG005WPU MDL No:
Product Description
Catalog Number:
AG005WPU
Chemical Name:
Oxazole,5-(3,4-dimethoxyphenyl)-2-phenyl-
CAS Number:
70216-32-9
Molecular Formula:
C17H15NO3
Molecular Weight:
281.3059
IUPAC Name:
5-(3,4-dimethoxyphenyl)-2-phenyl-1,3-oxazole
InChI:
InChI=1S/C17H15NO3/c1-19-14-9-8-13(10-15(14)20-2)16-11-18-17(21-16)12-6-4-3-5-7-12/h3-11H,1-2H3
InChI Key:
VABIMQUXFWWAPI-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)c1cnc(o1)c1ccccc1
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.105g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.311g/mol
Monoisotopic Mass:
281.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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