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138584-27-7 | Isoxazole, 3,4-bis(4-methoxyphenyl)-
CAS No: 138584-27-7 Catalog No: AG0018SW MDL No:
Product Description
Catalog Number:
AG0018SW
Chemical Name:
Isoxazole, 3,4-bis(4-methoxyphenyl)-
CAS Number:
138584-27-7
Molecular Formula:
C17H15NO3
Molecular Weight:
281.3059
IUPAC Name:
3,4-bis(4-methoxyphenyl)-1,2-oxazole
InChI:
InChI=1S/C17H15NO3/c1-19-14-7-3-12(4-8-14)16-11-21-18-17(16)13-5-9-15(20-2)10-6-13/h3-11H,1-2H3
InChI Key:
UHVWEAWEFPWVIW-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nocc1c1ccc(cc1)OC
Properties
Complexity:
309
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:
3.6
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