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Home> Hot Product Listed T   > T6600158
3057-91-8 structure

T6600158

CAS No.:3057-91-8
Molecular Weight:184.18918
Molecular Formula:C19H26N2O5S (isomer)
Names and Identifiers
Synonyms

MCULE-4094474314 MOLPORT-009-325-335 n-(3-{[3-(3,5-dimethyl-1h-pyrazol-1-yl)-2-methylpropyl]carbamoyl}phenyl)oxolane-2-carboxamide Z435605864

Inchi
InChI=1/C9H12O4/c10-7(11)5-1-9(2-5)3-6(4-9)8(12)13/h5-6H,1-4H2,(H,10,11)(H,12,13)
Canonical Smiles
C1C(CC12CC(C2)C(=O)O)C(=O)O
Properties
Melting Point
230-235℃
Refractive Index
1.568
Computational chemical data
  • Molecular Weight:184.18918g/mol
  • Molecular Formula:C19H26N2O5S
  • Exact Mass:184.073559
  • Monoisotopic Mass:184.073559
  • Complexity:227
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:74.6
  • Heavy Atom Count:13
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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