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89590-21-6 | Benzoxazole, 4,4'-[1,2-ethanediylbis(oxy)]bis- (9CI)
CAS No: 89590-21-6 Catalog No: AG003Z36 MDL No:
Product Description
Catalog Number:
AG003Z36
Chemical Name:
Benzoxazole, 4,4'-[1,2-ethanediylbis(oxy)]bis- (9CI)
CAS Number:
89590-21-6
Molecular Formula:
C16H12N2O4
Molecular Weight:
296.2775
IUPAC Name:
4-[2-(1,3-benzoxazol-4-yloxy)ethoxy]-1,3-benzoxazole
InChI:
InChI=1S/C16H12N2O4/c1-3-11(15-13(5-1)21-9-17-15)19-7-8-20-12-4-2-6-14-16(12)18-10-22-14/h1-6,9-10H,7-8H2
InChI Key:
XXFOTCHZBJYSLA-UHFFFAOYSA-N
SMILES:
C(Oc1cccc2c1nco2)COc1cccc2c1nco2
NSC Number:
379756
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.08g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.282g/mol
Monoisotopic Mass:
296.08g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
70.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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