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89590-23-8 | Benzoxazole, 4,4'-[1,3-propanediylbis(oxy)]bis-
CAS No: 89590-23-8 Catalog No: AG003XK3 MDL No:
Product Description
Catalog Number:
AG003XK3
Chemical Name:
Benzoxazole, 4,4'-[1,3-propanediylbis(oxy)]bis-
CAS Number:
89590-23-8
Molecular Formula:
C17H14N2O4
Molecular Weight:
310.3041
IUPAC Name:
4-[3-(1,3-benzoxazol-4-yloxy)propoxy]-1,3-benzoxazole
InChI:
InChI=1S/C17H14N2O4/c1-4-12(16-14(6-1)22-10-18-16)20-8-3-9-21-13-5-2-7-15-17(13)19-11-23-15/h1-2,4-7,10-11H,3,8-9H2
InChI Key:
HTVFZBMPCLXSDA-UHFFFAOYSA-N
SMILES:
C(COc1cccc2c1nco2)COc1cccc2c1nco2
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.095g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.309g/mol
Monoisotopic Mass:
310.095g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
70.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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