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78967-05-2 | Isoxazole, 3,4-bis(4-methoxyphenyl)-5-methyl-
CAS No: 78967-05-2 Catalog No: AG005CTW MDL No:
Product Description
Catalog Number:
AG005CTW
Chemical Name:
Isoxazole, 3,4-bis(4-methoxyphenyl)-5-methyl-
CAS Number:
78967-05-2
Molecular Formula:
C18H17NO3
Molecular Weight:
295.3325
IUPAC Name:
3,4-bis(4-methoxyphenyl)-5-methyl-1,2-oxazole
InChI:
InChI=1S/C18H17NO3/c1-12-17(13-4-8-15(20-2)9-5-13)18(19-22-12)14-6-10-16(21-3)11-7-14/h4-11H,1-3H3
InChI Key:
CKKXCPZQKHHECC-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1c(C)onc1c1ccc(cc1)OC
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.121g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.338g/mol
Monoisotopic Mass:
295.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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