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20821-99-2 | Isoxazole, 4,5-dihydro-3,5-bis(4-methoxyphenyl)-
CAS No: 20821-99-2 Catalog No: AG002JL0 MDL No:
Product Description
Catalog Number:
AG002JL0
Chemical Name:
Isoxazole, 4,5-dihydro-3,5-bis(4-methoxyphenyl)-
CAS Number:
20821-99-2
Molecular Formula:
C17H17NO3
Molecular Weight:
283.3218
IUPAC Name:
3,5-bis(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
InChI:
InChI=1S/C17H17NO3/c1-19-14-7-3-12(4-8-14)16-11-17(21-18-16)13-5-9-15(20-2)10-6-13/h3-10,17H,11H2,1-2H3
InChI Key:
DIMSUUHVHWLUDT-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1ON=C(C1)c1ccc(cc1)OC
NSC Number:
133091
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.121g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.327g/mol
Monoisotopic Mass:
283.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| 3,5-Bis(4-meth-oxy-phen-yl)-4,5-dihydro-isoxazole. | Acta crystallographica. Section E, Structure reports online 20110801 |
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