3-Ethoxyimino-2-[[4-[2-(4-methylsulfonyloxyphenyl)ethoxy]phenyl]methyl]butanoic acid;3-methoxyimino-2-[[4-[2-(4-methylsulfonyloxyphenyl)ethoxy]phenyl]methyl]butanoic acid | CAS No. 39660-61-2

3-Ethoxyimino-2-[[4-[2-(4-methylsulfonyloxyphenyl)ethoxy]phenyl]methyl]butanoic acid;3-methoxyimino-2-[[4-[2-(4-methylsulfonyloxyphenyl)ethoxy]phenyl]methyl]butanoic acid

Basic Information

CAS Number

39660-61-2

Molecular Formula

C10H14O

Molecular Weight

150.22 g/mol

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Basic Physical Properties

CCON=C(C)C(CC1=CC=C(C=C1)OCCC2=CC=C(C=C2)OS(=O)(=O)C)C(=O)O.CC(=NOC)C(CC1=CC=C(C=C1)OCCC2=CC=C(C=C2)OS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C22H27NO7S.C21H25NO7S/c1-4-29-23-16(2)21(22(24)25)15-18-7-9-19(10-8-18)28-14-13-17-5-11-20(12-6-17)30-31(3,26)27;1-15(22-27-2)20(21(23)24)14-17-6-8-18(9-7-17)28-13-12-16-4-10-19(11-5-16)29-30(3,25)26/h5-12,21H,4,13-15H2,1-3H3,(H,24,25);4-11,20H,12-14H2,1-3H3,(H,23,24)

InChIKey

HBBYDBGYLMYIRM-UHFFFAOYSA-N

LogP

6.214300000000007

Topological Polar Surface Area

222.97999999999993 Ų

Hydrogen Bond Donor/Acceptor

2 / 16

Complexity

1330

Synonyms & References

English

  • o-CYMEN-5-OL
  • 39660-61-2
  • SCHEMBL6512788
  • HBBYDBGYLMYIRM-UHFFFAOYSA-N
  • 3-Ethoxyimino-2-[[4-[2-(4-methylsulfonyloxyphenyl)ethoxy]phenyl]methyl]butanoic acid;3-methoxyimino-2-[[4-[2-(4-methylsulfonyloxyphenyl)ethoxy]phenyl]methyl]butanoic acid

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