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Home> Encyclopedia > Hot Product Listed 5   > 5-Isoxazolecarboxamide,N-(2,6-dimethylphenyl)-
55333-14-7 structure

5-Isoxazolecarboxamide,N-(2,6-dimethylphenyl)-

Iupac Name:methyl
(2E,6E)-3,7-diethyl-9-[(2R,3S)-3-ethyl-3-methyloxiran-2-yl]nona-2,
6-dienoate
CAS No.:55333-14-7
EINECS(EC#): 217-314-0
Molecular Weight:308.45558
Molecular Formula:C15H15N3O5S2 (isomer)
Names and Identifiers
Synonyms

5-isoxazolecarboxamide, n-(2,6-dimethylphenyl)- AC1MIM4E AKOS027599459 brn 5814838 DTXSID00163028 HE139754 LS-86543 n-(2,6-dimethylphenyl)-1,2-oxazole-5-carboxamide n-(2,6-dimethylphenyl)-5-isoxazolecarboxamide n-(2,6-dimethylphenyl)isoxazole-5-carboxamide

Inchi
InChI=1/C19H32O3/c1-6-15(12-13-17-19(4,8-3)22-17)10-9-11-16(7-2)14-18(20)21-5/h10,14,17H,6-9,11-13H2,1-5H3/b15-10+,16-14+/t17-,19+/m1/s1
Canonical Smiles
CCC(=CCCC(=CC(=O)OC)CC)CCC1C(O1)(C)CC
Isomers Smiles
CC/C(=C\CC/C(=C/C(=O)OC)/CC)/CC[C@@H]1[C@](O1)(C)CC
Properties
Density
1.49
Boiling Point
503°Cat760mmHg
Refractive Index
1.471
Flash Point
409.2°C
Computational chemical data
  • Molecular Weight:308.45558g/mol
  • Molecular Formula:C15H15N3O5S2
  • Exact Mass:308.235145
  • Monoisotopic Mass:308.235145
  • Complexity:422
  • Rotatable Bond Count:11
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:38.8
  • Heavy Atom Count:22
  • Defined Atom Stereocenter Count:2
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:2
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
 
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