4-Oxo-4-(2,4,5-triethoxyphenyl)butanoic acid | CAS No. 41826-92-0

4-Oxo-4-(2,4,5-triethoxyphenyl)butanoic acid

Basic Information

CAS Number

41826-92-0

Molecular Formula

C16H22O6

Molecular Weight

310.35 g/mol

AD

Basic Physical Properties

Melting Point

150-151°

Boiling Point

370.51°C (rough estimate)

Flash Point

179.9 °C

Refractive Index

1.4600 (estimate)

CCOC1=CC(=C(C=C1C(=O)CCC(=O)O)OCC)OCC

InChI

InChI=1S/C16H22O6/c1-4-20-13-10-15(22-6-3)14(21-5-2)9-11(13)12(17)7-8-16(18)19/h9-10H,4-8H2,1-3H3,(H,18,19)

InChIKey

YPTFHLJNWSJXKG-UHFFFAOYSA-N

LogP

2.930200000000001

Topological Polar Surface Area

82.06 Ų

Hydrogen Bond Donor/Acceptor

1 / 6

Complexity

357

Synonyms & References

English

  • Trepibutone [INN:JAN]
  • 3-(2,4,5-Triethoxybenzoyl)propionic acid
  • NCGC00167448-01
  • CHEBI:32255
  • NCGC00167448-02
  • UNII-H1187LU49Q
  • SCHEMBL25039
  • Propionic acid, 3-(2,4,5-triethoxybenzoyl)-
  • TREPIBUTONE [INN]
  • DB13311
  • 4-oxo-4-(2,4,5-triethoxyphenyl)butanoicacid
  • CAS-41826-92-0
  • DTXSID6046634
  • Trepibutonum
  • Tox21_112452
  • Trepibutone (JP17/INN)
  • Supacal
  • H1187LU49Q
  • 3-(2,4,5-Triethoxybenzoyl)propionicacid
  • F74234
  • HY-108283
  • CHEMBL1725880
  • 4-oxo-4-(2,4,5-triethoxyphenyl)butanoic acid
  • Trepibutone ,(S)
  • YPTFHLJNWSJXKG-UHFFFAOYSA-N
  • 3-(2',4',5'-triethoxybenzoyl)-propionic acid
  • Trepibuton [INN-Spanish]
  • Trepibutonum [INN-Latin]
  • TREPIBUTONE [WHO-DD]
  • Choliatron
  • DTXCID4026634

MDL Number

MFCD00865221

Customs Code

2918990090

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