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653601-93-5 | Isoxazole, 3,5-bis(3,4-dimethoxyphenyl)-4,5-dihydro-5-methyl-
CAS No: 653601-93-5 Catalog No: AG006RYN MDL No:
Product Description
Catalog Number:
AG006RYN
Chemical Name:
Isoxazole, 3,5-bis(3,4-dimethoxyphenyl)-4,5-dihydro-5-methyl-
CAS Number:
653601-93-5
Molecular Formula:
C20H23NO5
Molecular Weight:
357.4003
IUPAC Name:
3,5-bis(3,4-dimethoxyphenyl)-5-methyl-4H-1,2-oxazole
InChI:
InChI=1S/C20H23NO5/c1-20(14-7-9-17(23-3)19(11-14)25-5)12-15(21-26-20)13-6-8-16(22-2)18(10-13)24-4/h6-11H,12H2,1-5H3
InChI Key:
SCAKONBCHPBQQM-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1OC)C1=NOC(C1)(C)c1ccc(c(c1)OC)OC
Properties
Complexity:
499
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.158g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
357.406g/mol
Monoisotopic Mass:
357.158g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
58.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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