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Home> Hot Product Listed M   > MCULE-3236157558
358730-99-1 structure

MCULE-3236157558

Iupac Name:12-deuteriohexadecanoic acid
CAS No.:358730-99-1
Molecular Weight:257.436
Molecular Formula:C18H27N3O3 (isomer)
Names and Identifiers
Synonyms

{[1-(1-benzofuran-2-yl)ethyl]carbamoyl}methyl 2-{2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl}acetate MOLPORT-028-818-999 Z97088249

Inchi
InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)/i5D
InChkey
IPCSVZSSVZVIGE-UICOGKGYSA-N
Canonical Smiles
CCCCCCCCCCCCCCCC(=O)O
Computational chemical data
  • Molecular Weight:257.436g/mol
  • Molecular Formula:C18H27N3O3
  • Compound Is Canonicalized:True
  • XLogP3-AA:6.4
  • Exact Mass:257.247
  • Monoisotopic Mass:257.247
  • Complexity:178
  • Rotatable Bond Count:14
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:37.3A^2
  • Heavy Atom Count:18
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:1
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcfB4MAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACACAgAACCAAAAgAI AACQCAAAAAAAAAAAAAEAAAAAABIAAAAAQAAEAAAAAAGIyKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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